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

C17H20N2O3 — CID 134349862

IUPAC2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide
SMILESO=C(NCC1CC1)C(=O)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H20N2O3/c20-15-9-8-14(16(21)17(22)18-10-12-6-7-12)19(15)11-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,18,22)
InChIKeyOFGJROOVUNGATQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.27
Rot. Bonds6

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

2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide (PubChem CID 134349862) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide
PubChem CID134349862
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide
SMILESO=C(NCC1CC1)C(=O)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H20N2O3/c20-15-9-8-14(16(21)17(22)18-10-12-6-7-12)19(15)11-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,18,22)
InChIKeyOFGJROOVUNGATQ-UHFFFAOYSA-N
XLogP1.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.27
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-ethyl-2-oxoacetamide
CID 139335049
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-2-oxoacetamide
CID 139335095
2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide
CID 139335074
2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide
CID 139329131
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide
CID 134349466
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
3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid
CID 134349828
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-(cyclopropylmethyl)-2-oxoacetamide
CID 139329270
(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide?
The IUPAC name of 2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide (CID 134349862) is 2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide.
What is the SMILES notation for 2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide?
The canonical SMILES for 2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide is O=C(NCC1CC1)C(=O)C1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide?
The InChIKey is OFGJROOVUNGATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-15-9-8-14(16(21)17(22)18-10-12-6-7-12)19(15)11-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,18,22).
What are the key properties of 2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide?
2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide has a molecular weight of 300.36 g/mol, XLogP of 1.27, 6 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-(cyclopropylmethyl)-2-oxoacetamide is sourced from PubChem (CID 134349862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).