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

C13H18N2O2 — CID 103727847

IUPAC3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(C)(O)C2)c1
InChIInChI=1S/C13H18N2O2/c1-10-4-3-5-11(8-10)14-12(16)15-7-6-13(2,17)9-15/h3-5,8,17H,6-7,9H2,1-2H3,(H,14,16)
InChIKeyQJVOWSWJNZXVON-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.98
Rot. Bonds1

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

3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 103727847) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID103727847
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(C)(O)C2)c1
InChIInChI=1S/C13H18N2O2/c1-10-4-3-5-11(8-10)14-12(16)15-7-6-13(2,17)9-15/h3-5,8,17H,6-7,9H2,1-2H3,(H,14,16)
InChIKeyQJVOWSWJNZXVON-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-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 103727848
1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982829
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
2-hydroxy-4-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 103357278
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 81116359
N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586070
3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide
CID 119043741
3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 155900887
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide (CID 103727847) is 3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide is Cc1cccc(NC(=O)N2CCC(C)(O)C2)c1.
What is the InChIKey of 3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is QJVOWSWJNZXVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-4-3-5-11(8-10)14-12(16)15-7-6-13(2,17)9-15/h3-5,8,17H,6-7,9H2,1-2H3,(H,14,16).
What are the key properties of 3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide?
3-hydroxy-3-methyl-N-(3-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-(3-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 103727847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).