Chemical ID: 4960224

CCOC(=O)CC(=O)Nc1ccc(c(c1)C)C
Chemical ID:
4960224
Name [?]:
ethyl 3-(3,4-dimethylphenyl)amino-3-oxo-propanoate
SMILES [?]:
CCOC(=O)CC(=O)Nc1ccc(c(c1)C)C
InChi [?]:
InChI=1/C13H17NO3/c1-4-17-13(16)8-12(15)14-11-6-5-9(2)10(3)7-11/h5-7H,4,8H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,17,16,2,12,11,15,6,13,14,10,7,4,9,8,5,3/rA:17nCCOCOCCONCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.05885
Area:438.735
Solvation:-3.90953
Coulombic:-35.9012
Bond Count [?]
All:17
Single:12
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:235.279
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.1
LogP (Chemaxon):2.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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