4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride

C16H25ClN2O2 — CID 119756992

IUPAC4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cccc(C(C)(C)CNC(=O)C2CC(O)CN2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-5-4-6-12(7-11)16(2,3)10-18-15(20)14-8-13(19)9-17-14;/h4-7,13-14,17,19H,8-10H2,1-3H3,(H,18,20);1H
InChIKeyXNHBUOYETJSHDP-UHFFFAOYSA-N
MW312.84 g/mol
LogP1.53
Rot. Bonds4

About 4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride

4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119756992) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119756992
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cccc(C(C)(C)CNC(=O)C2CC(O)CN2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-5-4-6-12(7-11)16(2,3)10-18-15(20)14-8-13(19)9-17-14;/h4-7,13-14,17,19H,8-10H2,1-3H3,(H,18,20);1H
InChIKeyXNHBUOYETJSHDP-UHFFFAOYSA-N
XLogP1.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride 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-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119787068
N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119812067
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119786052
N-[2-methyl-2-(3-methylphenyl)propyl]carbamoyl bromide
CID 115194297
4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 63306283
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide
CID 119757001
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride
CID 119316485
N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314229
N-[2-methyl-2-(3-methylphenyl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119757018
(2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 154889286
N-[2-(3-fluorophenyl)-2-methylpropyl]triazolidine-4-carboxamide
CID 134068687
4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide
CID 119805133

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119756992) is 4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1cccc(C(C)(C)CNC(=O)C2CC(O)CN2)c1.Cl.
What is the InChIKey of 4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is XNHBUOYETJSHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-11-5-4-6-12(7-11)16(2,3)10-18-15(20)14-8-13(19)9-17-14;/h4-7,13-14,17,19H,8-10H2,1-3H3,(H,18,20);1H.
What are the key properties of 4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119756992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).