Chemical ID: 4348814

COc1ccc(cc1)C(NC(=O)Cc2ccccc2)NC(=O)Cc3ccccc3
Chemical ID:
4348814
Name [?]:
N-[(4-methoxyphenyl)-(2-phenylacetyl)amino-methyl]-2-phenyl-acetamide
SMILES [?]:
COc1ccc(cc1)C(NC(=O)Cc2ccccc2)NC(=O)Cc3ccccc3
InChi [?]:
InChI=1/C24H24N2O3/c1-29-21-14-12-20(13-15-21)24(25-22(27)16-18-8-4-2-5-9-18)26-23(28)17-19-10-6-3-7-11-19/h2-15,24H,16-17H2,1H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,17,27,16,18,26,28,15,19,25,29,5,7,4,8,13,23,14,24,6,3,11,21,9,10,20,12,22,2/E:(2,3)(4,5,6,7)(8,9,10,11)(12,13)(14,15)(16,17)(18,19)(22,23)(25,26)(27,28)/gE:(1,2)/rA:29nCOCCCCCCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s9;s20;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:9.94435
Area:642.175
Solvation:-6.11002
Coulombic:-49.7658
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:4.13
LogP (Chemaxon):3.8

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