Chemical ID: 7335272

Cc1ccccc1C(=O)NC(c2ccc(c(c2)OC)OCc3ccccc3)NC(=O)c4ccccc4C
Chemical ID:
7335272
Name [?]:
N-[(4-benzyloxy-3-methoxy-phenyl)-(2-methylbenzoyl)amino-methyl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)NC(c2ccc(c(c2)OC)OCc3ccccc3)NC(=O)c4ccccc4C
InChi [?]:
InChI=1/C31H30N2O4/c1-21-11-7-9-15-25(21)30(34)32-29(33-31(35)26-16-10-8-12-22(26)2)24-17-18-27(28(19-24)36-3)37-20-23-13-5-4-6-14-23/h4-19,29H,20H2,1-3H3,(H,32,34)(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,37,19,25,24,26,4,34,5,33,3,35,23,27,6,32,13,14,17,21,2,36,22,12,7,31,15,16,11,8,29,10,28,9,30,18,20/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(21,22)(25,26)(30,31)(32,33)(34,35)/gE:(1,2)/rA:37nCCCCCCCCONCCCCCCCOCOCCCCCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s21;s22;d23;s24;d25;d22s26;s11;s28;d29;s29;s31;d32;s33;d34;d31s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H30N2O4
All Atoms:67
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:12.1532
Area:762.39
Solvation:-6.90656
Coulombic:-61.847
Bond Count [?]
All:40
Single:26
Double:14
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:494.581
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:6.74
LogP (Chemaxon):6.03

Name Annotations

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Descriptor Annotations

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