ChemDB: Chemical Search
Download
Chemical ID: 7020120
Chemical ID:
7020120
Name [?]:
N-[(4-butoxyphenyl)-(4-methylbenzoyl)amino-methyl]-4-methyl-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(NC(=O)c2ccc(cc2)C)NC(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C27H30N2O3/c1-4-5-18-32-24-16-14-21(15-17-24)25(28-26(30)22-10-6-19(2)7-11-22)29-27(31)23-12-8-20(3)9-13-23/h6-17,25H,4-5,18H2,1-3H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,22,32,2,3,18,20,28,30,17,21,27,31,8,10,7,11,4,19,29,9,16,26,6,12,14,24,13,23,15,25,5/E:(2,3)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(19,20)(22,23)(26,27)(28,29)(30,31)/gE:(1,2)/rA:32nCCCCOCCCCCCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s12;s23;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H30N2O3 |
All Atoms: | 62 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.5627 |
Area: | 721.507 |
Solvation: | -4.47497 |
Coulombic: | -54.4191 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 430.539 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.73 |
LogP (Chemaxon): | 5.71 |
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 |
---|