3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide

C13H18N2O2 — CID 103727848

IUPAC3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(C)(O)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-10-3-5-11(6-4-10)14-12(16)15-8-7-13(2,17)9-15/h3-6,17H,7-9H2,1-2H3,(H,14,16)
InChIKeyMQHTTWYISFOPEU-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.98
Rot. Bonds1

About 3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide

3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 103727848) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID103727848
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(C)(O)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-10-3-5-11(6-4-10)14-12(16)15-8-7-13(2,17)9-15/h3-6,17H,7-9H2,1-2H3,(H,14,16)
InChIKeyMQHTTWYISFOPEU-UHFFFAOYSA-N
XLogP1.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 103727847
(3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide
CID 99797041
4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 56878672
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
2-hydroxy-4-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 103357278
3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 63137931
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 103728385
N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 80703460
1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 23990210
N-(4-acetylphenyl)-4-hydroxy-4-methylazepane-1-carboxamide
CID 107406879
5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 81108634
3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide
CID 119043741

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide (CID 103727848) is 3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(C)(O)C2)cc1.
What is the InChIKey of 3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is MQHTTWYISFOPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-3-5-11(6-4-10)14-12(16)15-8-7-13(2,17)9-15/h3-6,17H,7-9H2,1-2H3,(H,14,16).
What are the key properties of 3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 103727848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).