5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide

C20H22N2O3 — CID 51151720

IUPAC5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide
SMILESO=C(NOCc1ccccc1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H22N2O3/c23-19-13-18(14-22(19)12-11-16-7-3-1-4-8-16)20(24)21-25-15-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,21,24)
InChIKeyXLOBKHLIVKHKKU-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.33
Rot. Bonds7

About 5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide

5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide (PubChem CID 51151720) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide
PubChem CID51151720
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide
SMILESO=C(NOCc1ccccc1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H22N2O3/c23-19-13-18(14-22(19)12-11-16-7-3-1-4-8-16)20(24)21-25-15-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,21,24)
InChIKeyXLOBKHLIVKHKKU-UHFFFAOYSA-N
XLogP2.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
N'-hydroxy-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboximidamide
CID 138111361
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175
(2-amino-2-oxoethyl) (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898644
N-(2-methylbutan-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 53497922
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
(3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 94115136
N-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 111445380
N-(2-benzylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4820474
1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide
CID 42952999
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898498

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide (CID 51151720) is 5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide is O=C(NOCc1ccccc1)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of 5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide?
The InChIKey is XLOBKHLIVKHKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19-13-18(14-22(19)12-11-16-7-3-1-4-8-16)20(24)21-25-15-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,21,24).
What are the key properties of 5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide?
5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide is sourced from PubChem (CID 51151720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).