N-(3-acetylcyclohexyl)-2-oxopropanamide

C11H17NO3 — CID 22083263

IUPACN-(3-acetylcyclohexyl)-2-oxopropanamide
SMILESCC(=O)C(=O)NC1CCCC(C(C)=O)C1
InChIInChI=1S/C11H17NO3/c1-7(13)9-4-3-5-10(6-9)12-11(15)8(2)14/h9-10H,3-6H2,1-2H3,(H,12,15)
InChIKeyNFHYAJIHDWEMOG-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.84
Rot. Bonds3

About N-(3-acetylcyclohexyl)-2-oxopropanamide

N-(3-acetylcyclohexyl)-2-oxopropanamide (PubChem CID 22083263) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(3-acetylcyclohexyl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(3-acetylcyclohexyl)-2-oxopropanamide
PubChem CID22083263
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC NameN-(3-acetylcyclohexyl)-2-oxopropanamide
SMILESCC(=O)C(=O)NC1CCCC(C(C)=O)C1
InChIInChI=1S/C11H17NO3/c1-7(13)9-4-3-5-10(6-9)12-11(15)8(2)14/h9-10H,3-6H2,1-2H3,(H,12,15)
InChIKeyNFHYAJIHDWEMOG-UHFFFAOYSA-N
XLogP0.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-oxopropanamide
CID 12861109
1-[(1S,3S)-3-aminocyclohexyl]ethanone
CID 98010319
1-(3-iodocyclohexyl)ethanone
CID 12564078
3-acetylcyclohexane-1-carbonyl iodide
CID 146549703
cis-(1S,3R)-3-(prop-2-enoylamino)cyclohexane-1-carboxylic acid
CID 95362904
methyl N-[(3S)-3-acetylcyclopentyl]carbamate
CID 89494881
methyl N-(3-acetylcyclopentyl)carbamate
CID 77342525
1-(3-acetylcyclohexyl)-2,2-dimethylpropan-1-one
CID 138498595
cis-(1S,3R)-3-methylcyclohexane-1-carboxylic acid;N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 158462495
N-[(1R,3S)-3-hydroxycyclohexyl]acetamide
CID 121286290
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
N-[(1R,3R)-3-hydroxycyclohexyl]acetamide
CID 130005028

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylcyclohexyl)-2-oxopropanamide?
The IUPAC name of N-(3-acetylcyclohexyl)-2-oxopropanamide (CID 22083263) is N-(3-acetylcyclohexyl)-2-oxopropanamide.
What is the SMILES notation for N-(3-acetylcyclohexyl)-2-oxopropanamide?
The canonical SMILES for N-(3-acetylcyclohexyl)-2-oxopropanamide is CC(=O)C(=O)NC1CCCC(C(C)=O)C1.
What is the InChIKey of N-(3-acetylcyclohexyl)-2-oxopropanamide?
The InChIKey is NFHYAJIHDWEMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(13)9-4-3-5-10(6-9)12-11(15)8(2)14/h9-10H,3-6H2,1-2H3,(H,12,15).
What are the key properties of N-(3-acetylcyclohexyl)-2-oxopropanamide?
N-(3-acetylcyclohexyl)-2-oxopropanamide has a molecular weight of 211.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylcyclohexyl)-2-oxopropanamide is sourced from PubChem (CID 22083263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).