N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide

C19H20N2O2 — CID 20964176

IUPACN-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H20N2O2/c1-2-14-8-6-7-11-17(14)20-18(22)16-12-13-21(19(16)23)15-9-4-3-5-10-15/h3-11,16H,2,12-13H2,1H3,(H,20,22)
InChIKeyNQYFJHUDVXVAAP-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.24
Rot. Bonds4

About N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide

N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 20964176) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID20964176
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H20N2O2/c1-2-14-8-6-7-11-17(14)20-18(22)16-12-13-21(19(16)23)15-9-4-3-5-10-15/h3-11,16H,2,12-13H2,1H3,(H,20,22)
InChIKeyNQYFJHUDVXVAAP-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 119440918
1-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119439813
N-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 46062412
(3R)-1-(4-ethylphenyl)-N-[(2-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 95056101
N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119422848
(3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92750576
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
(3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 97277699
(3S)-1-(4-ethylphenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 94079884
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
1-(3-bromophenyl)-N-(4-ethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 55826690
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46347353

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide (CID 20964176) is N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide is CCc1ccccc1NC(=O)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is NQYFJHUDVXVAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-14-8-6-7-11-17(14)20-18(22)16-12-13-21(19(16)23)15-9-4-3-5-10-15/h3-11,16H,2,12-13H2,1H3,(H,20,22).
What are the key properties of N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 20964176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).