N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide

C14H20N2O2 — CID 102779419

IUPACN-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-10-7-8-15-13(10)14(18)16-12(9-17)11-5-3-2-4-6-11/h2-6,10,12-13,15,17H,7-9H2,1H3,(H,16,18)
InChIKeyXGTHTNGNLCGGJC-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.83
Rot. Bonds4

About N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide

N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102779419) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102779419
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-10-7-8-15-13(10)14(18)16-12(9-17)11-5-3-2-4-6-11/h2-6,10,12-13,15,17H,7-9H2,1H3,(H,16,18)
InChIKeyXGTHTNGNLCGGJC-UHFFFAOYSA-N
XLogP0.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-1-phenylethyl)-3-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

3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide
CID 102778018
3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide
CID 107067392
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779429
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 107863240
2-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107862038
N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-4-carboxamide
CID 103951345
2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390983
2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid
CID 107067870
3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide
CID 107067400
methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
CID 107068110

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide (CID 102779419) is N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide is CC1CCNC1C(=O)NC(CO)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is XGTHTNGNLCGGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-7-8-15-13(10)14(18)16-12(9-17)11-5-3-2-4-6-11/h2-6,10,12-13,15,17H,7-9H2,1H3,(H,16,18).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide?
N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).