N-cyclohexyl-2-oxopropanamide

C9H15NO2 — CID 12861109

IUPACN-cyclohexyl-2-oxopropanamide
SMILESCC(=O)C(=O)NC1CCCCC1
InChIInChI=1S/C9H15NO2/c1-7(11)9(12)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,10,12)
InChIKeyVGPBVFQLUQYKIE-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.02
Rot. Bonds2

About N-cyclohexyl-2-oxopropanamide

N-cyclohexyl-2-oxopropanamide (PubChem CID 12861109) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-cyclohexyl-2-oxopropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-oxopropanamide
PubChem CID12861109
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-cyclohexyl-2-oxopropanamide
SMILESCC(=O)C(=O)NC1CCCCC1
InChIInChI=1S/C9H15NO2/c1-7(11)9(12)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,10,12)
InChIKeyVGPBVFQLUQYKIE-UHFFFAOYSA-N
XLogP1.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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(E)-N-cyclopentyl-2-methylbut-2-enamide
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N-(3-acetylcyclohexyl)-2-oxopropanamide
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N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid
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N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide
CID 2975425
N-cyclooctyl-2-hydrazinyl-2-oxoacetamide
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CID 108508318
(E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide
CID 10878394
2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-oxopropanamide?
The IUPAC name of N-cyclohexyl-2-oxopropanamide (CID 12861109) is N-cyclohexyl-2-oxopropanamide.
What is the SMILES notation for N-cyclohexyl-2-oxopropanamide?
The canonical SMILES for N-cyclohexyl-2-oxopropanamide is CC(=O)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-oxopropanamide?
The InChIKey is VGPBVFQLUQYKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(11)9(12)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,10,12).
What are the key properties of N-cyclohexyl-2-oxopropanamide?
N-cyclohexyl-2-oxopropanamide has a molecular weight of 169.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-oxopropanamide is sourced from PubChem (CID 12861109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).