Chemical ID: 6041978

CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NC3CC3
Chemical ID:
6041978
Name [?]:
N-cyclopropyl-2-[8-(1,1-dimethylpropyl)-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl]-acetamide
SMILES [?]:
CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NC3CC3
InChi [?]:
InChI=1/C18H24N2O3/c1-4-18(2,3)12-5-8-15-14(9-12)20(17(22)11-23-15)10-16(21)19-13-6-7-13/h5,8-9,13H,4,6-7,10-11H2,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,4,5,2,7,22,23,8,11,17,15,6,21,10,9,18,13,3,20,12,19,14,16/E:(2,3)(6,7)/rA:23nCCCCCCCCCCCNCOCOCCONCCC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s9s15;s12;s17;d18;s18;s20;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.04764
Area:526.922
Solvation:-4.1254
Coulombic:-45.8174
Bond Count [?]
All:25
Single:20
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:316.395
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.9
LogP (Chemaxon):1.94

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