ChemDB: Chemical Search
Download
Chemical ID: 4563457
Chemical ID:
4563457
Name [?]:
N-[3-(4-isopropoxyphenyl)-3-(p-tolyl)propyl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILES [?]:
CCC(=O)N(CCC(c1ccc(cc1)C)c2ccc(cc2)OC(C)C)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C30H37NO3/c1-6-30(32)31(21-24-9-15-27(33-5)16-10-24)20-19-29(25-11-7-23(4)8-12-25)26-13-17-28(18-14-26)34-22(2)3/h7-18,22,29H,6,19-21H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,24,25,15,34,2,11,13,28,32,10,14,17,21,29,31,18,20,7,6,26,23,12,27,9,16,30,19,8,3,5,4,33,22/E:(2,3)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:34cCCCONCCCCCCCCCCCCCCCCOCCCCCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s8;s16;d17;s18;d19;d16s20;s19;s22;s23;s23;s5;s26;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H37NO3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.3039 |
Area: | 741.262 |
Solvation: | -5.22763 |
Coulombic: | -33.9903 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 459.62 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.68 |
LogP (Chemaxon): | 6.55 |
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 |
---|