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

C16H22N2O2 — CID 84504205

IUPACN,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C16H22N2O2/c1-4-17(5-2)16(20)13-10-15(19)18(11-13)14-8-6-12(3)7-9-14/h6-9,13H,4-5,10-11H2,1-3H3
InChIKeyWAMGKBPESCWLOD-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.22
Rot. Bonds4

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

N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 84504205) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID84504205
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C16H22N2O2/c1-4-17(5-2)16(20)13-10-15(19)18(11-13)14-8-6-12(3)7-9-14/h6-9,13H,4-5,10-11H2,1-3H3
InChIKeyWAMGKBPESCWLOD-UHFFFAOYSA-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

(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 9402557
1-(3-chloro-4-fluorophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 3236644
N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082044
(3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350860
(3S)-N,N-bis(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767495
(3R)-N,N-bis(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767497
(3S)-1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 9389070
1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 17081991
1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920233
1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113190810

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 84504205) is N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCN(CC)C(=O)C1CC(=O)N(c2ccc(C)cc2)C1.
What is the InChIKey of N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WAMGKBPESCWLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-17(5-2)16(20)13-10-15(19)18(11-13)14-8-6-12(3)7-9-14/h6-9,13H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N,N-diethyl-1-(4-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 N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 84504205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).