(3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C19H19N3O4 — CID 39352253

IUPAC(3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1ccc(O)cc1
InChIInChI=1S/C19H19N3O4/c23-16-8-6-14(7-9-16)21-17(24)11-20-19(26)13-10-18(25)22(12-13)15-4-2-1-3-5-15/h1-9,13,23H,10-12H2,(H,20,26)(H,21,24)/t13-/m1/s1
InChIKeyLWXDIZPIXSIAEB-CYBMUJFWSA-N
MW353.38 g/mol
LogP1.50
Rot. Bonds5

About (3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 39352253) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is (3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID39352253
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name(3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1ccc(O)cc1
InChIInChI=1S/C19H19N3O4/c23-16-8-6-14(7-9-16)21-17(24)11-20-19(26)13-10-18(25)22(12-13)15-4-2-1-3-5-15/h1-9,13,23H,10-12H2,(H,20,26)(H,21,24)/t13-/m1/s1
InChIKeyLWXDIZPIXSIAEB-CYBMUJFWSA-N
XLogP1.50
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 82043433
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
(3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39341801
(3R)-N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39044150
N-[2-(4-chloroanilino)-2-oxoethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 60570940
(3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39337801
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
(3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 39045222
(3R)-1-(4-bromophenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39348541
(3S)-5-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 39044737

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 39352253) is (3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1ccc(O)cc1.
What is the InChIKey of (3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is LWXDIZPIXSIAEB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-16-8-6-14(7-9-16)21-17(24)11-20-19(26)13-10-18(25)22(12-13)15-4-2-1-3-5-15/h1-9,13,23H,10-12H2,(H,20,26)(H,21,24)/t13-/m1/s1.
What are the key properties of (3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 39352253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).