Chemical ID: 7038851

CCOc1cccc(c1)C(NC(=O)c2ccccc2C)NC(=O)c3ccccc3C
Chemical ID:
7038851
Name [?]:
N-[(3-ethoxyphenyl)-(2-methylbenzoyl)amino-methyl]-2-methyl-benzamide
SMILES [?]:
CCOc1cccc(c1)C(NC(=O)c2ccccc2C)NC(=O)c3ccccc3C
InChi [?]:
InChI=1/C25H26N2O3/c1-4-30-20-13-9-12-19(16-20)23(26-24(28)21-14-7-5-10-17(21)2)27-25(29)22-15-8-6-11-18(22)3/h5-16,23H,4H2,1-3H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,20,30,2,17,27,16,26,6,18,28,7,5,15,25,9,19,29,8,4,14,24,10,12,22,11,21,13,23,3/E:(2,3)(5,6)(7,8)(10,11)(14,15)(17,18)(21,22)(24,25)(26,27)(28,29)/gE:(1,2)/rA:30nCCOCCCCCCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s10;s21;d22;s22;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H26N2O3
All Atoms:56
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.9123
Area:648.462
Solvation:-4.29924
Coulombic:-54.0238
Bond Count [?]
All:32
Single:21
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:402.486
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.81
LogP (Chemaxon):4.85

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Descriptor Annotations

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