1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide

C15H22N2O2 — CID 106151899

IUPAC1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(Cc2cccc(C)c2O)C1
InChIInChI=1S/C15H22N2O2/c1-11-5-4-6-12(13(11)18)9-17-8-7-15(2,10-17)14(19)16-3/h4-6,18H,7-10H2,1-3H3,(H,16,19)
InChIKeyHNCWPOLWXAGNAB-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.66
Rot. Bonds3

About 1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106151899) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106151899
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(Cc2cccc(C)c2O)C1
InChIInChI=1S/C15H22N2O2/c1-11-5-4-6-12(13(11)18)9-17-8-7-15(2,10-17)14(19)16-3/h4-6,18H,7-10H2,1-3H3,(H,16,19)
InChIKeyHNCWPOLWXAGNAB-UHFFFAOYSA-N
XLogP1.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-6-methylphenol
CID 112553679
1-[(2-amino-3-nitrophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321592
1-[(4-cyano-2-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150947
N,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 106319127
3-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 106318978
5-methyl-4-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 106318975
1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317846
1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 112553393
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322065
1-[(2-bromo-5-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151916
2-fluoro-4-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 106318976
N,3-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide
CID 106321575

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106151899) is 1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(Cc2cccc(C)c2O)C1.
What is the InChIKey of 1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is HNCWPOLWXAGNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-4-6-12(13(11)18)9-17-8-7-15(2,10-17)14(19)16-3/h4-6,18H,7-10H2,1-3H3,(H,16,19).
What are the key properties of 1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106151899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).