ChemDB: Chemical Search
Download
Chemical ID: 4264345
Chemical ID:
4264345
Name [?]:
4-butoxy-N-[4-(phenylcarbamoyl)phenyl]-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C24H24N2O3/c1-2-3-17-29-22-15-11-19(12-16-22)24(28)26-21-13-9-18(10-14-21)23(27)25-20-7-5-4-6-8-20/h4-16H,2-3,17H2,1H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,3,27,26,28,25,29,17,19,8,10,16,20,7,11,4,18,9,24,15,6,21,12,23,14,22,13,5/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:29nCCCCOCCCCCCCONCCCCCCCONCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1087 |
Area: | 653.503 |
Solvation: | -4.22883 |
Coulombic: | -52.4372 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 388.459 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.23 |
LogP (Chemaxon): | 5.11 |
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 |
---|