2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide

C16H18N2O3 — CID 139335074

IUPAC2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C16H18N2O3/c19-14-9-8-13(15(20)16(21)17-12-6-7-12)18(14)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,17,21)
InChIKeyHPSBBHWSFSIFEF-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.03
Rot. Bonds5

About 2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide

2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide (PubChem CID 139335074) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide
PubChem CID139335074
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C16H18N2O3/c19-14-9-8-13(15(20)16(21)17-12-6-7-12)18(14)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,17,21)
InChIKeyHPSBBHWSFSIFEF-UHFFFAOYSA-N
XLogP1.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.03
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

2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide
CID 134349466
3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid
CID 134349828
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-2-oxoacetamide
CID 139335095
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-[1-(cyclobutanecarbonyl)azetidin-3-yl]-2-oxoacetamide
CID 134349368
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide
CID 139335049
2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide
CID 134349862
N-(azetidin-1-ium-3-yl)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetamide;2,2,2-trifluoroacetate
CID 134349683
1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide
CID 110625068
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide
CID 139329088
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(5-methyl-4-oxohexyl)-2-oxoacetamide
CID 157240893
tert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate
CID 139329154
2-[1-(cyclopentylmethyl)-5-oxopyrrolidin-2-yl]-N-cyclopropyl-2-oxoacetamide
CID 134349318

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide?
The IUPAC name of 2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide (CID 139335074) is 2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide.
What is the SMILES notation for 2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide?
The canonical SMILES for 2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide is O=C(NC1CC1)C(=O)C1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide?
The InChIKey is HPSBBHWSFSIFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-14-9-8-13(15(20)16(21)17-12-6-7-12)18(14)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,17,21).
What are the key properties of 2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide?
2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide has a molecular weight of 286.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide is sourced from PubChem (CID 139335074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).