Chemical ID: 3951290

Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)NC(C)C
Chemical ID:
3951290
Name [?]:
N-isopropyl-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
InChi [?]:
InChI=1/C14H18N2O3/c1-9(2)15-13(17)7-16-11-6-10(3)4-5-12(11)19-8-14(16)18/h4-6,9H,7-8H2,1-3H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:18,19,1,3,4,7,13,11,17,2,6,5,14,9,16,8,15,10,12/E:(1,2)/rA:19nCCCCCCCNCOCOCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.21107
Area:451.367
Solvation:-4.0731
Coulombic:-44.8933
Bond Count [?]
All:20
Single:15
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:262.304
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.29
LogP (Chemaxon):0.75

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue