(2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide

C18H18N2O3 — CID 29131499

IUPAC(2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)Nc2ccc(O)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-20-16(22)11-15(17(20)12-5-3-2-4-6-12)18(23)19-13-7-9-14(21)10-8-13/h2-10,15,17,21H,11H2,1H3,(H,19,23)/t15-,17-/m0/s1
InChIKeyLNBCWBZZQJTRDV-RDJZCZTQSA-N
MW310.35 g/mol
LogP2.55
Rot. Bonds3

About (2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide

(2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide (PubChem CID 29131499) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
PubChem CID29131499
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)Nc2ccc(O)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-20-16(22)11-15(17(20)12-5-3-2-4-6-12)18(23)19-13-7-9-14(21)10-8-13/h2-10,15,17,21H,11H2,1H3,(H,19,23)/t15-,17-/m0/s1
InChIKeyLNBCWBZZQJTRDV-RDJZCZTQSA-N
XLogP2.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42651384
(2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29132676
(2S,3R)-N-(2-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136577
ethyl 4-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 28935183
N-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42652477
(2R,3R)-1-methyl-5-oxo-2-phenyl-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 29131786
(2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29130811
(2R,3R)-N-(2-methoxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136953
N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651157
N-(1H-benzimidazol-2-yl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42652359
(2S,3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29134238
(2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136965

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide (CID 29131499) is (2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide is CN1C(=O)C[C@H](C(=O)Nc2ccc(O)cc2)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The InChIKey is LNBCWBZZQJTRDV-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-20-16(22)11-15(17(20)12-5-3-2-4-6-12)18(23)19-13-7-9-14(21)10-8-13/h2-10,15,17,21H,11H2,1H3,(H,19,23)/t15-,17-/m0/s1.
What are the key properties of (2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
(2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 29131499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).