3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide

C14H18N2O3 — CID 91545272

IUPAC3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
SMILESCC(C)ONC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C14H18N2O3/c1-10(2)19-15-14(18)11-5-3-6-12(9-11)16-8-4-7-13(16)17/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,15,18)
InChIKeySABDGFHOVJKZFL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.88
Rot. Bonds4

About 3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide

3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide (PubChem CID 91545272) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
PubChem CID91545272
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
SMILESCC(C)ONC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C14H18N2O3/c1-10(2)19-15-14(18)11-5-3-6-12(9-11)16-8-4-7-13(16)17/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,15,18)
InChIKeySABDGFHOVJKZFL-UHFFFAOYSA-N
XLogP1.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776
3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 94108280
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
dimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate
CID 95742879
N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651870
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
N-[1-(4-bromophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55395402
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9470704
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
CID 51251631
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide (CID 91545272) is 3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide is CC(C)ONC(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide?
The InChIKey is SABDGFHOVJKZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(2)19-15-14(18)11-5-3-6-12(9-11)16-8-4-7-13(16)17/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,15,18).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide?
3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide has a molecular weight of 262.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide is sourced from PubChem (CID 91545272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).