2-methyl-N-(3-oxocyclohexyl)propanamide

C10H17NO2 — CID 164677071

IUPAC2-methyl-N-(3-oxocyclohexyl)propanamide
SMILESCC(C)C(=O)NC1CCCC(=O)C1
InChIInChI=1S/C10H17NO2/c1-7(2)10(13)11-8-4-3-5-9(12)6-8/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyDOJSBBJCEWNVFR-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.27
Rot. Bonds2

About 2-methyl-N-(3-oxocyclohexyl)propanamide

2-methyl-N-(3-oxocyclohexyl)propanamide (PubChem CID 164677071) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methyl-N-(3-oxocyclohexyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-oxocyclohexyl)propanamide
PubChem CID164677071
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-methyl-N-(3-oxocyclohexyl)propanamide
SMILESCC(C)C(=O)NC1CCCC(=O)C1
InChIInChI=1S/C10H17NO2/c1-7(2)10(13)11-8-4-3-5-9(12)6-8/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyDOJSBBJCEWNVFR-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-oxocyclohexyl)carbamic acid
CID 68660976
N-(3-oxocyclohexyl)cyclohexanecarboxamide
CID 164677929
2-methyl-N-[(3-oxocyclohexyl)methyl]propanamide
CID 158210571
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
2-methyl-N-(2-oxopiperidin-4-yl)propanamide
CID 112534578
2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide
CID 159536541
2-methyl-N-(3-methylcyclohexyl)propanamide
CID 60739958
N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide
CID 139383920
2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 10422463
2-methyl-N-(thian-3-yl)propanamide
CID 115674781
2-methyl-N-[(3R)-piperidin-3-yl]propanamide;hydrochloride
CID 53256452
tert-butyl (2R)-2-[(1R)-3-oxocyclohexyl]propanoate
CID 11218403

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-oxocyclohexyl)propanamide?
The IUPAC name of 2-methyl-N-(3-oxocyclohexyl)propanamide (CID 164677071) is 2-methyl-N-(3-oxocyclohexyl)propanamide.
What is the SMILES notation for 2-methyl-N-(3-oxocyclohexyl)propanamide?
The canonical SMILES for 2-methyl-N-(3-oxocyclohexyl)propanamide is CC(C)C(=O)NC1CCCC(=O)C1.
What is the InChIKey of 2-methyl-N-(3-oxocyclohexyl)propanamide?
The InChIKey is DOJSBBJCEWNVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)10(13)11-8-4-3-5-9(12)6-8/h7-8H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 2-methyl-N-(3-oxocyclohexyl)propanamide?
2-methyl-N-(3-oxocyclohexyl)propanamide has a molecular weight of 183.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-oxocyclohexyl)propanamide is sourced from PubChem (CID 164677071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).