Chemical ID: 4341405

CCC(C)C(C(=O)O)NC(=O)c1ccccc1NC(=O)c2ccccc2
Chemical ID:
4341405
Name [?]:
2-(2-benzamidobenzoyl)amino-3-methyl-pentanoic acid
SMILES [?]:
CCC(C)C(C(=O)O)NC(=O)c1ccccc1NC(=O)c2ccccc2
InChi [?]:
InChI=1/C20H22N2O4/c1-3-13(2)17(20(25)26)22-19(24)15-11-7-8-12-16(15)21-18(23)14-9-5-4-6-10-14/h4-13,17H,3H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,4,2,24,23,25,14,15,22,26,13,16,3,21,12,17,5,19,10,6,18,9,20,11,7,8/E:(5,6)(9,10)(25,26)/rA:26cCCCCCCOONCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:11.0654
Area:575.251
Solvation:-3.31587
Coulombic:-73.0776
Bond Count [?]
All:27
Single:18
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:354.4
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.96
LogP (Chemaxon):4.0

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