(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide

C15H20N2O2 — CID 9350542

IUPAC(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C15H20N2O2/c1-3-16(4-2)15(19)12-10-14(18)17(11-12)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3/t12-/m0/s1
InChIKeyDNSGXZCCMLYYAC-LBPRGKRZSA-N
MW260.34 g/mol
LogP1.91
Rot. Bonds4

About (3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 9350542) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID9350542
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C15H20N2O2/c1-3-16(4-2)15(19)12-10-14(18)17(11-12)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3/t12-/m0/s1
InChIKeyDNSGXZCCMLYYAC-LBPRGKRZSA-N
XLogP1.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614
(3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350860
1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113188899
1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113189037
N-ethyl-N-(2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080533
(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 40720221
1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 18886165
(3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 9402557
N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082044
1-(3-chloro-4-fluorophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 3236644
methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189282

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 9350542) is (3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide is CCN(CC)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is DNSGXZCCMLYYAC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-16(4-2)15(19)12-10-14(18)17(11-12)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.91, 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-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 9350542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).