N,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride

C14H21ClN2O — CID 119706051

IUPACN,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccc(N(C)C(=O)C2(C)CCNC2)cc1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-4-6-12(7-5-11)16(3)13(17)14(2)8-9-15-10-14;/h4-7,15H,8-10H2,1-3H3;1H
InChIKeyHGBWEFMXZROUQP-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.38
Rot. Bonds2

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

N,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119706051) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119706051
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccc(N(C)C(=O)C2(C)CCNC2)cc1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-4-6-12(7-5-11)16(3)13(17)14(2)8-9-15-10-14;/h4-7,15H,8-10H2,1-3H3;1H
InChIKeyHGBWEFMXZROUQP-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

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Related Compounds

N,3-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 63143794
4-[methyl-(4-methylpiperidine-4-carbonyl)amino]benzoic acid
CID 104698574
4-methoxy-N-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 119706067
1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119706037
N,4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 63121399
2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid
CID 63141819
2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116570098
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63138507
N-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708787
(4-methylphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569340
3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide
CID 63140580
N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63139967

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119706051) is N,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride is Cc1ccc(N(C)C(=O)C2(C)CCNC2)cc1.Cl.
What is the InChIKey of N,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is HGBWEFMXZROUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-11-4-6-12(7-5-11)16(3)13(17)14(2)8-9-15-10-14;/h4-7,15H,8-10H2,1-3H3;1H.
What are the key properties of N,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
N,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119706051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).