2-[(3S,4R)-1-benzyl-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide

C17H24N2O2 — CID 53239998

IUPAC2-[(3S,4R)-1-benzyl-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide
SMILESCCC[C@H]1CN(Cc2ccccc2)C(=O)[C@H]1CC(=O)NC
InChIInChI=1S/C17H24N2O2/c1-3-7-14-12-19(11-13-8-5-4-6-9-13)17(21)15(14)10-16(20)18-2/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyZNQOQJIXGZTYHQ-GJZGRUSLSA-N
MW288.39 g/mol
LogP2.20
Rot. Bonds6

About 2-[(3S,4R)-1-benzyl-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide

2-[(3S,4R)-1-benzyl-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide (PubChem CID 53239998) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(3S,4R)-1-benzyl-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3S,4R)-1-benzyl-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide
PubChem CID53239998
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[(3S,4R)-1-benzyl-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide
SMILESCCC[C@H]1CN(Cc2ccccc2)C(=O)[C@H]1CC(=O)NC
InChIInChI=1S/C17H24N2O2/c1-3-7-14-12-19(11-13-8-5-4-6-9-13)17(21)15(14)10-16(20)18-2/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyZNQOQJIXGZTYHQ-GJZGRUSLSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide
CID 53240013
2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide
CID 139763375
(3S,4S)-1-benzyl-4-ethyl-3-methylpyrrolidin-2-one
CID 59034735
3-acetyl-1-benzylazetidin-2-one
CID 13222627
(3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one
CID 11600997
(3S,4S)-3-amino-1-benzyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 156784354
2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
CID 46902924
methyl 1-benzyl-4-hydroxy-5-oxopyrrolidine-3-carboxylate
CID 74066079
N-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
CID 133120470
(3S,4S)-1-benzyl-3-chloro-4-(chloromethyl)pyrrolidin-2-one
CID 101020826
ethyl (3R,4R,5S)-1-benzyl-5-ethyl-4-hydroxy-2-oxopiperidine-3-carboxylate
CID 102264565
2-[(2R,3R,4R,5S)-1-benzyl-5-(fluoromethyl)-3,4-dihydroxypyrrolidin-2-yl]-N-methylacetamide
CID 90059695

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-1-benzyl-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[(3S,4R)-1-benzyl-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide (CID 53239998) is 2-[(3S,4R)-1-benzyl-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3S,4R)-1-benzyl-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3S,4R)-1-benzyl-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide is CCC[C@H]1CN(Cc2ccccc2)C(=O)[C@H]1CC(=O)NC.
What is the InChIKey of 2-[(3S,4R)-1-benzyl-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is ZNQOQJIXGZTYHQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-7-14-12-19(11-13-8-5-4-6-9-13)17(21)15(14)10-16(20)18-2/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3,(H,18,20)/t14-,15-/m0/s1.
What are the key properties of 2-[(3S,4R)-1-benzyl-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide?
2-[(3S,4R)-1-benzyl-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 288.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-1-benzyl-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 53239998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).