ChemDB: Chemical Search
Download
Chemical ID: 6194481
Chemical ID:
6194481
Name [?]:
N-[2-methoxy-4-[3-methoxy-4-(3-phenylpropanoylamino)phenyl]-phenyl]-3-phenyl-propanamide
SMILES [?]:
COc1cc(ccc1NC(=O)CCc2ccccc2)c3ccc(c(c3)OC)NC(=O)CCc4ccccc4
InChi [?]:
InChI=1/C32H32N2O4/c1-37-29-21-25(15-17-27(29)33-31(35)19-13-23-9-5-3-6-10-23)26-16-18-28(30(22-26)38-2)34-32(36)20-14-24-11-7-4-8-12-24/h3-12,15-18,21-22H,13-14,19-20H2,1-2H3,(H,33,35)(H,34,36)
InChi Info:
AuxInfo=1/1/N:1,27,17,36,16,18,35,37,15,19,34,38,13,32,6,21,7,22,12,31,4,25,14,33,5,20,8,23,3,24,10,29,9,28,11,30,2,26/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)/gE:(1,2)/rA:38nCOCCCCCCNCOCCCCCCCCCCCCCCOCNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s5;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;d29;s29;s31;s32;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H32N2O4 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.4965 |
Area: | 814.7 |
Solvation: | -5.87104 |
Coulombic: | -58.4399 |
Bond Count [?]
All: | 41 |
Single: | 27 |
Double: | 14 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 508.608 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.27 |
LogP (Chemaxon): | 6.36 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|