N-ethyl-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide

C13H16N2O3 — CID 114009924

IUPACN-ethyl-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(C(=O)C1CNC(=O)C1)c1cccc(O)c1
InChIInChI=1S/C13H16N2O3/c1-2-15(10-4-3-5-11(16)7-10)13(18)9-6-12(17)14-8-9/h3-5,7,9,16H,2,6,8H2,1H3,(H,14,17)
InChIKeyJXHPRXMOVCHEER-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.88
Rot. Bonds3

About N-ethyl-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-ethyl-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 114009924) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID114009924
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-ethyl-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(C(=O)C1CNC(=O)C1)c1cccc(O)c1
InChIInChI=1S/C13H16N2O3/c1-2-15(10-4-3-5-11(16)7-10)13(18)9-6-12(17)14-8-9/h3-5,7,9,16H,2,6,8H2,1H3,(H,14,17)
InChIKeyJXHPRXMOVCHEER-UHFFFAOYSA-N
XLogP0.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
N-ethyl-N-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 76876121
5-[ethyl-(3-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 107734029
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide
CID 55149318
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 119670332
(3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 81140928
N-ethyl-2-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)acetamide
CID 107735690

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 114009924) is N-ethyl-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCN(C(=O)C1CNC(=O)C1)c1cccc(O)c1.
What is the InChIKey of N-ethyl-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JXHPRXMOVCHEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-15(10-4-3-5-11(16)7-10)13(18)9-6-12(17)14-8-9/h3-5,7,9,16H,2,6,8H2,1H3,(H,14,17).
What are the key properties of N-ethyl-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-ethyl-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 114009924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).