N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride

C14H21ClN2O — CID 119706995

IUPACN-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCCN(C(=O)C1CCNC1)c1ccc(C)cc1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-3-16(13-6-4-11(2)5-7-13)14(17)12-8-9-15-10-12;/h4-7,12,15H,3,8-10H2,1-2H3;1H
InChIKeyRGPJGYAEASZRKD-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.38
Rot. Bonds3

About N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride

N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119706995) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119706995
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCCN(C(=O)C1CCNC1)c1ccc(C)cc1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-3-16(13-6-4-11(2)5-7-13)14(17)12-8-9-15-10-12;/h4-7,12,15H,3,8-10H2,1-2H3;1H
InChIKeyRGPJGYAEASZRKD-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-(4-methylphenyl)pyrrolidine-3-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-ethyl-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119280403
N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 119670332
N-ethyl-N-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 76876121
N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide
CID 55149318
(2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 103794860
N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 119679273
3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550633
N-(3,5-dichlorophenyl)-N-ethylpiperidine-4-carboxamide;hydrochloride
CID 140562388
N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55149693
(3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 81140928
2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid
CID 63007265
3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 63046107

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119706995) is N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride is CCN(C(=O)C1CCNC1)c1ccc(C)cc1.Cl.
What is the InChIKey of N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is RGPJGYAEASZRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-3-16(13-6-4-11(2)5-7-13)14(17)12-8-9-15-10-12;/h4-7,12,15H,3,8-10H2,1-2H3;1H.
What are the key properties of N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119706995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).