Chemical ID: 6876161

Cc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)NCCc3ccccc3)C
Chemical ID:
6876161
Name [?]:
4-[(2,5-dimethylphenyl)carbamoylmethoxy]-N-phenethyl-benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)NCCc3ccccc3)C
InChi [?]:
InChI=1/C25H26N2O3/c1-18-8-9-19(2)23(16-18)27-24(28)17-30-22-12-10-21(11-13-22)25(29)26-15-14-20-6-4-3-5-7-20/h3-13,16H,14-15,17H2,1-2H3,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,30,27,26,28,25,29,3,4,15,17,14,18,23,22,7,11,2,5,24,16,13,6,9,19,21,8,10,20,12/E:(4,5)(6,7)(10,11)(12,13)/rA:30nCCCCCCCNCOCOCCCCCCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;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:11.6991
Area:679.037
Solvation:-5.27682
Coulombic:-51.7183
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:4.61
LogP (Chemaxon):4.09

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Descriptor Annotations

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