N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C19H26N2O3 — CID 110614254

IUPACN-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCN(CCC1CCCCO1)C(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C19H26N2O3/c1-20(11-10-17-9-5-6-12-24-17)19(23)15-13-18(22)21(14-15)16-7-3-2-4-8-16/h2-4,7-8,15,17H,5-6,9-14H2,1H3
InChIKeyWPIZHIQLOJSLLH-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.46
Rot. Bonds5

About N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 110614254) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID110614254
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCN(CCC1CCCCO1)C(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C19H26N2O3/c1-20(11-10-17-9-5-6-12-24-17)19(23)15-13-18(22)21(14-15)16-7-3-2-4-8-16/h2-4,7-8,15,17H,5-6,9-14H2,1H3
InChIKeyWPIZHIQLOJSLLH-UHFFFAOYSA-N
XLogP2.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110614196
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614
(3R)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 124939225
(3R)-N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 129490756
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 40720221
N-benzyl-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17082168
N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189877
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 55610278
(3R)-1-(2-ethyl-6-methylphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 125161293
N-ethyl-N-(2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080533
(3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 40502213

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 110614254) is N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CN(CCC1CCCCO1)C(=O)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is WPIZHIQLOJSLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-20(11-10-17-9-5-6-12-24-17)19(23)15-13-18(22)21(14-15)16-7-3-2-4-8-16/h2-4,7-8,15,17H,5-6,9-14H2,1H3.
What are the key properties of N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110614254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).