4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide

C14H20N2O3 — CID 54874282

IUPAC4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)C1CC(O)CN1
InChIInChI=1S/C14H20N2O3/c1-9(11-5-3-4-6-13(11)18)16(2)14(19)12-7-10(17)8-15-12/h3-6,9-10,12,15,17-18H,7-8H2,1-2H3
InChIKeyCFZOABQPRVERRU-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.63
Rot. Bonds3

About 4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide

4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 54874282) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID54874282
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)C1CC(O)CN1
InChIInChI=1S/C14H20N2O3/c1-9(11-5-3-4-6-13(11)18)16(2)14(19)12-7-10(17)8-15-12/h3-6,9-10,12,15,17-18H,7-8H2,1-2H3
InChIKeyCFZOABQPRVERRU-UHFFFAOYSA-N
XLogP0.63
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-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

N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 63716151
2-[(4-hydroxypyrrolidine-2-carbonyl)-methylamino]propanoic acid
CID 62639278
(3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 81128232
4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 19907192
3-[1-(2-hydroxyphenyl)ethyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836748
N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 60953284
4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81380061
(2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 61164109
(2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide
CID 59336257
N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54869026
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81378542
(2R,4S)-4-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 125153912

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide (CID 54874282) is 4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide is CC(c1ccccc1O)N(C)C(=O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is CFZOABQPRVERRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(11-5-3-4-6-13(11)18)16(2)14(19)12-7-10(17)8-15-12/h3-6,9-10,12,15,17-18H,7-8H2,1-2H3.
What are the key properties of 4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54874282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).