1-[4-(hydroxymethyl)-3-methylphenyl]-N-methylpyrrolidine-2-carboxamide

C14H20N2O2 — CID 62135549

IUPAC1-[4-(hydroxymethyl)-3-methylphenyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1ccc(CO)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-10-8-12(6-5-11(10)9-17)16-7-3-4-13(16)14(18)15-2/h5-6,8,13,17H,3-4,7,9H2,1-2H3,(H,15,18)
InChIKeyTWYYYNPFHNLXFZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.20
Rot. Bonds3

About 1-[4-(hydroxymethyl)-3-methylphenyl]-N-methylpyrrolidine-2-carboxamide

1-[4-(hydroxymethyl)-3-methylphenyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 62135549) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-3-methylphenyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-3-methylphenyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID62135549
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[4-(hydroxymethyl)-3-methylphenyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1ccc(CO)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-10-8-12(6-5-11(10)9-17)16-7-3-4-13(16)14(18)15-2/h5-6,8,13,17H,3-4,7,9H2,1-2H3,(H,15,18)
InChIKeyTWYYYNPFHNLXFZ-UHFFFAOYSA-N
XLogP1.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[4-(hydroxymethyl)-3-methylphenyl]-N-methylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide
CID 55039017
1-[3-methyl-4-(methylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 62135010
1-(3,4-diaminophenyl)-N-methylpyrrolidine-2-carboxamide
CID 106750593
[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol
CID 62134365
4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide
CID 83096488
1-[2-chloro-4-(hydroxymethyl)phenyl]-N-methylpyrrolidine-2-carboxamide
CID 81151277
[1-[4-(hydroxymethyl)-3-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102782359
[2-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methanol
CID 79943471
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-2-carboxamide
CID 107105615
1-(4-amino-3-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 115499282
1-(5-amino-3-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 104533673
[1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 67085949

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-3-methylphenyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-(hydroxymethyl)-3-methylphenyl]-N-methylpyrrolidine-2-carboxamide (CID 62135549) is 1-[4-(hydroxymethyl)-3-methylphenyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-(hydroxymethyl)-3-methylphenyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-(hydroxymethyl)-3-methylphenyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1ccc(CO)c(C)c1.
What is the InChIKey of 1-[4-(hydroxymethyl)-3-methylphenyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is TWYYYNPFHNLXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-8-12(6-5-11(10)9-17)16-7-3-4-13(16)14(18)15-2/h5-6,8,13,17H,3-4,7,9H2,1-2H3,(H,15,18).
What are the key properties of 1-[4-(hydroxymethyl)-3-methylphenyl]-N-methylpyrrolidine-2-carboxamide?
1-[4-(hydroxymethyl)-3-methylphenyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-3-methylphenyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 62135549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).