Chemical ID: 7475986

Cc1ccc(c(c1)OCC(=O)Nc2ccccc2C(=O)NCCc3ccccc3)C
Chemical ID:
7475986
Name [?]:
2-[2-(2,5-dimethylphenoxy)acetyl]amino-N-phenethyl-benzamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2ccccc2C(=O)NCCc3ccccc3)C
InChi [?]:
InChI=1/C25H26N2O3/c1-18-12-13-19(2)23(16-18)30-17-24(28)27-22-11-7-6-10-21(22)25(29)26-15-14-20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,30,27,26,28,16,15,25,29,17,14,3,4,23,22,7,9,2,5,24,18,13,6,10,19,21,12,11,20,8/E:(4,5)(8,9)/rA:30nCCCCCCCOCCONCCCCCCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s21;s22;s23;s24;d25;s26;d27;d24s28;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H26N2O3
All Atoms:56
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.2003
Area:671.263
Solvation:-4.58129
Coulombic:-52.8154
Bond Count [?]
All:32
Single:21
Double:11
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:402.486
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.04
LogP (Chemaxon):5.39

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