Chemical ID: 4317451

CCC(C(=O)O)NC(=O)c1ccccc1NC(=O)c2ccc(cc2)OC
Chemical ID:
4317451
Name [?]:
2-[2-(4-methoxybenzoyl)aminobenzoyl]aminobutanoic acid
SMILES [?]:
CCC(C(=O)O)NC(=O)c1ccccc1NC(=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C19H20N2O5/c1-3-15(19(24)25)20-18(23)14-6-4-5-7-16(14)21-17(22)12-8-10-13(26-2)11-9-12/h4-11,15H,3H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,2,12,13,11,14,20,24,21,23,19,22,10,3,15,17,8,4,7,16,18,9,5,6,25/E:(8,9)(10,11)(24,25)/rA:26cCCCCOONCOCCCCCCNCOCCCCCCOC/rB:s1;s2;s3;d4;s4;s3;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.66181
Area:575.67
Solvation:-4.72993
Coulombic:-78.2986
Bond Count [?]
All:27
Single:18
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:356.373
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:3.01
LogP (Chemaxon):2.95

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