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

C16H22N2O2 — CID 9350860

IUPAC(3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CC(=O)N(c2ccccc2C)C1
InChIInChI=1S/C16H22N2O2/c1-4-17(5-2)16(20)13-10-15(19)18(11-13)14-9-7-6-8-12(14)3/h6-9,13H,4-5,10-11H2,1-3H3/t13-/m0/s1
InChIKeyKQZRNMNRWFQODK-ZDUSSCGKSA-N
MW274.36 g/mol
LogP2.22
Rot. Bonds4

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

(3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9350860) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9350860
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CC(=O)N(c2ccccc2C)C1
InChIInChI=1S/C16H22N2O2/c1-4-17(5-2)16(20)13-10-15(19)18(11-13)14-9-7-6-8-12(14)3/h6-9,13H,4-5,10-11H2,1-3H3/t13-/m0/s1
InChIKeyKQZRNMNRWFQODK-ZDUSSCGKSA-N
XLogP2.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(2-cyanoethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080781
1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 18886165
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
N-butyl-N-ethyl-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120415
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,3-dimethylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 51156735
N-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113187488
N-ethyl-1-(2-ethylphenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 51157028
N-ethyl-1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43052325
1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 17080743
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667
(3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350964

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9350860) is (3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCN(CC)C(=O)[C@H]1CC(=O)N(c2ccccc2C)C1.
What is the InChIKey of (3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KQZRNMNRWFQODK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-17(5-2)16(20)13-10-15(19)18(11-13)14-9-7-6-8-12(14)3/h6-9,13H,4-5,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9350860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).