(2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide

C19H22N2O2 — CID 129392844

IUPAC(2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(O)ccc1NC(=O)[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-14-12-16(22)9-10-17(14)20-19(23)18-8-5-11-21(18)13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,18,22H,5,8,11,13H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyQAMCSKDINBIQET-GOSISDBHSA-N
MW310.40 g/mol
LogP3.30
Rot. Bonds4

About (2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide

(2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 129392844) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID129392844
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(O)ccc1NC(=O)[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-14-12-16(22)9-10-17(14)20-19(23)18-8-5-11-21(18)13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,18,22H,5,8,11,13H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyQAMCSKDINBIQET-GOSISDBHSA-N
XLogP3.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.30
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

(2S)-1-benzyl-N-[2-methyl-4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 131942321
(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 51861391
N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 138108901
1-benzyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 60586090
1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide
CID 60563181
1-benzyl-N-[2-(N-ethyl-C-phenylcarbonimidoyl)phenyl]pyrrolidine-2-carboxamide
CID 89270517
(2S)-N-(2-benzoyl-4-nitrophenyl)-1-benzylpyrrolidine-2-carboxamide
CID 11091271
1-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]-3-phenylthiourea
CID 102344784
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate
CID 60579128
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide (CID 129392844) is (2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide is Cc1cc(O)ccc1NC(=O)[C@H]1CCCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is QAMCSKDINBIQET-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-12-16(22)9-10-17(14)20-19(23)18-8-5-11-21(18)13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,18,22H,5,8,11,13H2,1H3,(H,20,23)/t18-/m1/s1.
What are the key properties of (2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide?
(2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 129392844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).