Chemical ID: 4349208

COc1ccc(cc1OC)C(NC(=O)Cc2ccccc2)NC(=O)Cc3ccccc3
Chemical ID:
4349208
Name [?]:
N-[(3,4-dimethoxyphenyl)-(2-phenylacetyl)amino-methyl]-2-phenyl-acetamide
SMILES [?]:
COc1ccc(cc1OC)C(NC(=O)Cc2ccccc2)NC(=O)Cc3ccccc3
InChi [?]:
InChI=1/C25H26N2O4/c1-30-21-14-13-20(17-22(21)31-2)25(26-23(28)15-18-9-5-3-6-10-18)27-24(29)16-19-11-7-4-8-12-19/h3-14,17,25H,15-16H2,1-2H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,10,19,29,18,20,28,30,17,21,27,31,5,4,15,25,7,16,26,6,3,8,13,23,11,12,22,14,24,2,9/E:(3,4)(5,6,7,8)(9,10,11,12)(15,16)(18,19)(23,24)(26,27)(28,29)/gE:(1,2)/rA:31nCOCCCCCCOCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s11;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H26N2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:8.62764
Area:675.631
Solvation:-8.26314
Coulombic:-55.8505
Bond Count [?]
All:33
Single:22
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:418.485
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.78
LogP (Chemaxon):3.55

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