N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide

C20H22N2O2 — CID 16919346

IUPACN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C20H22N2O2/c23-19(11-16-7-3-1-4-8-16)21-13-18-12-20(24)22(15-18)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,21,23)
InChIKeyCXDNVXIVVVAXKC-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.39
Rot. Bonds6

About N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide (PubChem CID 16919346) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
PubChem CID16919346
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C20H22N2O2/c23-19(11-16-7-3-1-4-8-16)21-13-18-12-20(24)22(15-18)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,21,23)
InChIKeyCXDNVXIVVVAXKC-UHFFFAOYSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640183
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16919255
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110737035
benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
CID 16919390
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898459
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898464
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16919321
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 16919339
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide
CID 124614944

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide (CID 16919346) is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide?
The InChIKey is CXDNVXIVVVAXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19(11-16-7-3-1-4-8-16)21-13-18-12-20(24)22(15-18)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,21,23).
What are the key properties of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide?
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide has a molecular weight of 322.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 16919346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).