Chemical ID: 4506082

CCOC(=O)CC(=O)Nc1c(cc(cc1C)C)C
Chemical ID:
4506082
Name [?]:
ethyl 3-oxo-3-(2,4,6-trimethylphenyl)amino-propanoate
SMILES [?]:
CCOC(=O)CC(=O)Nc1c(cc(cc1C)C)C
InChi [?]:
InChI=1/C14H19NO3/c1-5-18-13(17)8-12(16)15-14-10(3)6-9(2)7-11(14)4/h6-7H,5,8H2,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,2,14,12,6,13,15,11,7,4,10,9,8,5,3/E:(3,4)(6,7)(10,11)/rA:18nCCOCOCCONCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s13;s11;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.40447
Area:453.541
Solvation:-3.93405
Coulombic:-35.6957
Bond Count [?]
All:18
Single:13
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:249.306
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.12
LogP (Chemaxon):1.71

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