2-(1-benzoylpyrrolidin-2-yl)-N-cyclohexyl-2-oxoacetamide

C19H24N2O3 — CID 67878467

IUPAC2-(1-benzoylpyrrolidin-2-yl)-N-cyclohexyl-2-oxoacetamide
SMILESO=C(NC1CCCCC1)C(=O)C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H24N2O3/c22-17(18(23)20-15-10-5-2-6-11-15)16-12-7-13-21(16)19(24)14-8-3-1-4-9-14/h1,3-4,8-9,15-16H,2,5-7,10-13H2,(H,20,23)
InChIKeyWASDPOKKPUYIIT-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.31
Rot. Bonds4

About 2-(1-benzoylpyrrolidin-2-yl)-N-cyclohexyl-2-oxoacetamide

2-(1-benzoylpyrrolidin-2-yl)-N-cyclohexyl-2-oxoacetamide (PubChem CID 67878467) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(1-benzoylpyrrolidin-2-yl)-N-cyclohexyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(1-benzoylpyrrolidin-2-yl)-N-cyclohexyl-2-oxoacetamide
PubChem CID67878467
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-(1-benzoylpyrrolidin-2-yl)-N-cyclohexyl-2-oxoacetamide
SMILESO=C(NC1CCCCC1)C(=O)C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H24N2O3/c22-17(18(23)20-15-10-5-2-6-11-15)16-12-7-13-21(16)19(24)14-8-3-1-4-9-14/h1,3-4,8-9,15-16H,2,5-7,10-13H2,(H,20,23)
InChIKeyWASDPOKKPUYIIT-UHFFFAOYSA-N
XLogP2.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.31
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

(2S)-1-benzoylpyrrolidine-2-carboxylate
CID 6988238
(2S)-N-cyclohexyl-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 10315888
N-cyclopentyl-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 53015958
N-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176
(2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
CID 110285809
2-[1-[2-[benzyl-(4-oxo-1-pyridinyl)amino]acetyl]pyrrolidin-2-yl]-N-cyclohexyl-2-oxoacetamide
CID 70208773
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 120515009
(2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide
CID 110305765
N-cyclopentyl-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134799641
[1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357643
[1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357637

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoylpyrrolidin-2-yl)-N-cyclohexyl-2-oxoacetamide?
The IUPAC name of 2-(1-benzoylpyrrolidin-2-yl)-N-cyclohexyl-2-oxoacetamide (CID 67878467) is 2-(1-benzoylpyrrolidin-2-yl)-N-cyclohexyl-2-oxoacetamide.
What is the SMILES notation for 2-(1-benzoylpyrrolidin-2-yl)-N-cyclohexyl-2-oxoacetamide?
The canonical SMILES for 2-(1-benzoylpyrrolidin-2-yl)-N-cyclohexyl-2-oxoacetamide is O=C(NC1CCCCC1)C(=O)C1CCCN1C(=O)c1ccccc1.
What is the InChIKey of 2-(1-benzoylpyrrolidin-2-yl)-N-cyclohexyl-2-oxoacetamide?
The InChIKey is WASDPOKKPUYIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-17(18(23)20-15-10-5-2-6-11-15)16-12-7-13-21(16)19(24)14-8-3-1-4-9-14/h1,3-4,8-9,15-16H,2,5-7,10-13H2,(H,20,23).
What are the key properties of 2-(1-benzoylpyrrolidin-2-yl)-N-cyclohexyl-2-oxoacetamide?
2-(1-benzoylpyrrolidin-2-yl)-N-cyclohexyl-2-oxoacetamide has a molecular weight of 328.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoylpyrrolidin-2-yl)-N-cyclohexyl-2-oxoacetamide is sourced from PubChem (CID 67878467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).