1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide

C17H23N3O3 — CID 113189037

IUPAC1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CC(=O)N(c2cccc(NC(C)=O)c2)C1
InChIInChI=1S/C17H23N3O3/c1-4-19(5-2)17(23)13-9-16(22)20(11-13)15-8-6-7-14(10-15)18-12(3)21/h6-8,10,13H,4-5,9,11H2,1-3H3,(H,18,21)
InChIKeyCVJJXQWDPJHIHD-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.87
Rot. Bonds5

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

1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 113189037) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID113189037
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CC(=O)N(c2cccc(NC(C)=O)c2)C1
InChIInChI=1S/C17H23N3O3/c1-4-19(5-2)17(23)13-9-16(22)20(11-13)15-8-6-7-14(10-15)18-12(3)21/h6-8,10,13H,4-5,9,11H2,1-3H3,(H,18,21)
InChIKeyCVJJXQWDPJHIHD-UHFFFAOYSA-N
XLogP1.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083
(3S)-1-(3-acetamidophenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727013
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
N-(3-acetamidophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946699
5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid
CID 50874012
(3S)-1-(3-acetamidophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 92727119
(3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide
CID 92727126
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
(3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 92727059
(3R)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 92727060

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide (CID 113189037) is 1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide is CCN(CC)C(=O)C1CC(=O)N(c2cccc(NC(C)=O)c2)C1.
What is the InChIKey of 1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CVJJXQWDPJHIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-19(5-2)17(23)13-9-16(22)20(11-13)15-8-6-7-14(10-15)18-12(3)21/h6-8,10,13H,4-5,9,11H2,1-3H3,(H,18,21).
What are the key properties of 1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113189037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).