2-[(3R)-1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide

C21H24N2O2 — CID 53240006

IUPAC2-[(3R)-1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide
SMILESCC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C21H24N2O2/c1-21(2)15-23(14-16-9-5-3-6-10-16)20(25)18(21)13-19(24)22-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyLJWOEHFLMUWVTR-SFHVURJKSA-N
MW336.44 g/mol
LogP3.70
Rot. Bonds5

About 2-[(3R)-1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide

2-[(3R)-1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide (PubChem CID 53240006) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[(3R)-1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3R)-1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide
PubChem CID53240006
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-[(3R)-1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide
SMILESCC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C21H24N2O2/c1-21(2)15-23(14-16-9-5-3-6-10-16)20(25)18(21)13-19(24)22-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyLJWOEHFLMUWVTR-SFHVURJKSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride
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2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide
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2-[(3R)-1-benzyl-3-prop-2-enyl-2H-indol-3-yl]-N-phenylacetamide
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dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
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2-cyclopropyl-N-phenylacetamide
CID 60753326
3-benzyl-5,5-dimethyl-1-(methylamino)-1,4,5a,9a-tetrahydro-3-benzazepin-2-one
CID 71094705
2-[(4S)-1-benzyl-3-[(4-methoxyphenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 40922337
(4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[(3R)-1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide (CID 53240006) is 2-[(3R)-1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3R)-1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(3R)-1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide is CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(3R)-1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The InChIKey is LJWOEHFLMUWVTR-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-21(2)15-23(14-16-9-5-3-6-10-16)20(25)18(21)13-19(24)22-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 2-[(3R)-1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
2-[(3R)-1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide has a molecular weight of 336.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide is sourced from PubChem (CID 53240006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).