Chemical ID: 7482411

CCc1cccc(c1NC(=O)C=CC(=O)OCC)C
Chemical ID:
7482411
Name [?]:
ethyl 4-(2-ethyl-6-methyl-phenyl)amino-4-oxo-but-2-enoate
SMILES [?]:
CCc1cccc(c1NC(=O)C=CC(=O)OCC)C
InChi [?]:
InChI=1/C15H19NO3/c1-4-12-8-6-7-11(3)15(12)16-13(17)9-10-14(18)19-5-2/h6-10H,4-5H2,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,18,19,2,17,5,6,4,12,13,7,3,10,14,8,9,11,15,16/rA:19nCCCCCCCCNCOCCCOOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;w12;s13;d14;s14;s16;s17;s7;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19NO3
All Atoms:38
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.31372
Area:480.28
Solvation:-2.69327
Coulombic:-40.3363
Bond Count [?]
All:19
Single:13
Double:6
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:261.316
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.6
LogP (Chemaxon):1.99

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