Chemical ID: 7037966

CCOc1cc(ccc1OC)C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
Chemical ID:
7037966
Name [?]:
N-[benzamido-(3-ethoxy-4-methoxy-phenyl)-methyl]benzamide
SMILES [?]:
CCOc1cc(ccc1OC)C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C24H24N2O4/c1-3-30-21-16-19(14-15-20(21)29-2)22(25-23(27)17-10-6-4-7-11-17)26-24(28)18-12-8-5-9-13-18/h4-16,22H,3H2,1-2H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,11,2,19,28,18,20,27,29,17,21,26,30,7,8,5,16,25,6,9,4,12,14,23,13,22,15,24,10,3/E:(4,5)(6,7,8,9)(10,11,12,13)(17,18)(23,24)(25,26)(27,28)/gE:(1,2)/rA:30nCCOCCCCCCOCCNCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s12;s22;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24N2O4
All Atoms:54
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.72659
Area:653.829
Solvation:-6.61913
Coulombic:-60.2152
Bond Count [?]
All:32
Single:21
Double:11
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:404.458
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.58
LogP (Chemaxon):3.66

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