ChemDB: Chemical Search
Download
Chemical ID: 7038766
Chemical ID:
7038766
Name [?]:
N-[(3-methoxyphenyl)-(4-methylbenzoyl)amino-methyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NC(c2cccc(c2)OC)NC(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C24H24N2O3/c1-16-7-11-18(12-8-16)23(27)25-22(20-5-4-6-21(15-20)29-3)26-24(28)19-13-9-17(2)10-14-19/h4-15,22H,1-3H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,29,19,14,13,15,3,7,25,27,4,6,24,28,17,2,26,5,23,12,16,11,8,21,10,20,9,22,18/E:(1,2)(7,8,9,10)(11,12,13,14)(16,17)(18,19)(23,24)(25,26)(27,28)/gE:(1,2)/rA:29nCCCCCCCCONCCCCCCCOCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s11;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O3 |
All Atoms: | 53 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3504 |
Area: | 637.284 |
Solvation: | -4.58174 |
Coulombic: | -53.3968 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 388.459 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.38 |
LogP (Chemaxon): | 4.51 |
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 |
---|