Chemical ID: 6194205

CC(=O)Nc1ccc(cc1)NC(=O)C=CC(=O)OC
Chemical ID:
6194205
Name [?]:
methyl 4-(4-acetamidophenyl)amino-4-oxo-but-2-enoate
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC(=O)C=CC(=O)OC
InChi [?]:
InChI=1/C13H14N2O4/c1-9(16)14-10-3-5-11(6-4-10)15-12(17)7-8-13(18)19-2/h3-8H,1-2H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,19,6,10,7,9,14,15,2,5,8,12,16,4,11,3,13,17,18/E:(3,4)(5,6)/rA:19nCCONCCCCCCNCOCCCOOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;w14;s15;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N2O4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:6.36367
Area:459.991
Solvation:-5.1361
Coulombic:-55.8681
Bond Count [?]
All:19
Single:12
Double:7
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:262.261
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.09
LogP (Chemaxon):0.94

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Descriptor Annotations

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