Chemical ID: 7492351

CCCNC(=O)c1ccccc1NC(=O)C=CC(=O)O
Chemical ID:
7492351
Name [?]:
4-oxo-4-[2-(propylcarbamoyl)phenyl]amino-but-2-enoic acid
SMILES [?]:
CCCNC(=O)c1ccccc1NC(=O)C=CC(=O)O
InChi [?]:
InChI=1/C14H16N2O4/c1-2-9-15-14(20)10-5-3-4-6-11(10)16-12(17)7-8-13(18)19/h3-8H,2,9H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,9,10,8,11,16,17,3,7,12,14,18,5,4,13,15,19,20,6/E:(18,19)/rA:20nCCCNCOCCCCCCNCOCCCOO/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;d14;s14;w16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2O4
All Atoms:36
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.19781
Area:497.38
Solvation:-3.23669
Coulombic:-69.7824
Bond Count [?]
All:20
Single:13
Double:7
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:276.288
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:1.56
LogP (Chemaxon):1.94

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