N,N-diethyl-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C17H24N2O2 — CID 75538140

IUPACN,N-diethyl-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CC(=O)N(C)C1c1ccc(C)cc1
InChIInChI=1S/C17H24N2O2/c1-5-19(6-2)17(21)14-11-15(20)18(4)16(14)13-9-7-12(3)8-10-13/h7-10,14,16H,5-6,11H2,1-4H3
InChIKeyHOEYMMGPIFSGLI-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.38
Rot. Bonds4

About N,N-diethyl-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N,N-diethyl-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 75538140) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N,N-diethyl-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID75538140
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN,N-diethyl-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CC(=O)N(C)C1c1ccc(C)cc1
InChIInChI=1S/C17H24N2O2/c1-5-19(6-2)17(21)14-11-15(20)18(4)16(14)13-9-7-12(3)8-10-13/h7-10,14,16H,5-6,11H2,1-4H3
InChIKeyHOEYMMGPIFSGLI-UHFFFAOYSA-N
XLogP2.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-N,N-diethyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457326
(2R,3R)-N,N-diethyl-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457688
(2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97457095
(2R,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N,N-bis(prop-2-enyl)piperidine-3-carboxamide
CID 95738404
(4S,5R)-4-(azepane-1-carbonyl)-1-methyl-5-(4-methylphenyl)pyrrolidin-2-one
CID 97457246
(4R,5R)-1-methyl-5-(4-methylphenyl)-4-(thiomorpholine-4-carbonyl)pyrrolidin-2-one
CID 97457264
(4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 98881750
(2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97457190
(2R,3R)-2-(4-ethylphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 94769672
2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]acetic acid
CID 102560091
(2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97457260
(2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 95738423

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 75538140) is N,N-diethyl-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCN(CC)C(=O)C1CC(=O)N(C)C1c1ccc(C)cc1.
What is the InChIKey of N,N-diethyl-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HOEYMMGPIFSGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-19(6-2)17(21)14-11-15(20)18(4)16(14)13-9-7-12(3)8-10-13/h7-10,14,16H,5-6,11H2,1-4H3.
What are the key properties of N,N-diethyl-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N,N-diethyl-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 75538140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).