Chemical ID: 7038853

CCOc1cccc(c1)C(NC(=O)c2ccc(cc2)C)NC(=O)c3ccc(cc3)C
Chemical ID:
7038853
Name [?]:
N-[(3-ethoxyphenyl)-(4-methylbenzoyl)amino-methyl]-4-methyl-benzamide
SMILES [?]:
CCOc1cccc(c1)C(NC(=O)c2ccc(cc2)C)NC(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C25H26N2O3/c1-4-30-22-7-5-6-21(16-22)23(26-24(28)19-12-8-17(2)9-13-19)27-25(29)20-14-10-18(3)11-15-20/h5-16,23H,4H2,1-3H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,20,30,2,6,7,5,16,18,26,28,15,19,25,29,9,17,27,14,24,8,4,10,12,22,11,21,13,23,3/E:(2,3)(8,9,10,11)(12,13,14,15)(17,18)(19,20)(24,25)(26,27)(28,29)/gE:(1,2)/rA:30nCCOCCCCCCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s10;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H26N2O3
All Atoms:56
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.277
Area:669.383
Solvation:-4.4576
Coulombic:-53.6627
Bond Count [?]
All:32
Single:21
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:402.486
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.81
LogP (Chemaxon):4.85

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue