Chemical ID: 6042051

Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)NC(C)C(C)C
Chemical ID:
6042051
Name [?]:
N-(1,2-dimethylpropyl)-2-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)NC(C)C(C)C
InChi [?]:
InChI=1/C16H22N2O3/c1-10(2)12(4)17-15(19)8-18-13-7-11(3)5-6-14(13)21-9-16(18)20/h5-7,10,12H,8-9H2,1-4H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:20,21,1,18,3,4,7,13,11,19,2,17,6,5,14,9,16,8,15,10,12/E:(1,2)/rA:21cCCCCCCCNCOCOCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;s17;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.27755
Area:493.324
Solvation:-4.05556
Coulombic:-45.6063
Bond Count [?]
All:22
Single:17
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:290.358
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.94
LogP (Chemaxon):1.62

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Descriptor Annotations

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