N-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane

C18H33NO2 — CID 145466520

IUPACN-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane
SMILESCC.CCC(=O)C(NC(=O)C1C2CCCCC21)C(C)(C)C
InChIInChI=1S/C16H27NO2.C2H6/c1-5-12(18)14(16(2,3)4)17-15(19)13-10-8-6-7-9-11(10)13;1-2/h10-11,13-14H,5-9H2,1-4H3,(H,17,19);1-2H3
InChIKeyYQQZKPAWNGZWRF-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.96
Rot. Bonds4

About N-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane

N-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane (PubChem CID 145466520) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane.

Molecular Properties

Compound NameN-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane
PubChem CID145466520
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC NameN-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane
SMILESCC.CCC(=O)C(NC(=O)C1C2CCCCC21)C(C)(C)C
InChIInChI=1S/C16H27NO2.C2H6/c1-5-12(18)14(16(2,3)4)17-15(19)13-10-8-6-7-9-11(10)13;1-2/h10-11,13-14H,5-9H2,1-4H3,(H,17,19);1-2H3
InChIKeyYQQZKPAWNGZWRF-UHFFFAOYSA-N
XLogP3.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane with MolForge

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Related Compounds

(1R)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen
CID 176576857
(1R)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide
CID 176576858
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-1-fluorocyclopropane-1-carboxamide
CID 176578555
N-(1-cyclohexyl-3-methyl-2-oxobutyl)-1-fluorocyclopropane-1-carboxamide
CID 176579902
(1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen
CID 176581072
(1S)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide
CID 176581073
N-(1-cyclohexyl-3-methyl-2-oxobutyl)-2,2-difluorocyclopropane-1-carboxamide
CID 176582102
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
CID 177118597
N-(6-cyclohexyl-6-oxohexyl)-2,2-dimethylpropanamide
CID 15883413
N-[(2R)-3-oxobutan-2-yl]cyclohexanecarboxamide
CID 134972853
N-[(1S,4S)-4-tert-butyl-2-oxocyclohexyl]acetamide
CID 164676741
N-[(1S,4S)-4-tert-butyl-2-oxocyclohexyl]-2,2-dimethylpropanamide
CID 164677807

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane?
The IUPAC name of N-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane (CID 145466520) is N-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane.
What is the SMILES notation for N-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane?
The canonical SMILES for N-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane is CC.CCC(=O)C(NC(=O)C1C2CCCCC21)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane?
The InChIKey is YQQZKPAWNGZWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2.C2H6/c1-5-12(18)14(16(2,3)4)17-15(19)13-10-8-6-7-9-11(10)13;1-2/h10-11,13-14H,5-9H2,1-4H3,(H,17,19);1-2H3.
What are the key properties of N-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane?
N-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane has a molecular weight of 295.47 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane is sourced from PubChem (CID 145466520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).