N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride

C13H19ClN2O2 — CID 119281659

IUPACN-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2CCCN2)c(C)c1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-9-8-10(17-2)5-6-11(9)15-13(16)12-4-3-7-14-12;/h5-6,8,12,14H,3-4,7H2,1-2H3,(H,15,16);1H
InChIKeyHAWMENUIKBGIES-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.12
Rot. Bonds3

About N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride

N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119281659) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119281659
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2CCCN2)c(C)c1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-9-8-10(17-2)5-6-11(9)15-13(16)12-4-3-7-14-12;/h5-6,8,12,14H,3-4,7H2,1-2H3,(H,15,16);1H
InChIKeyHAWMENUIKBGIES-UHFFFAOYSA-N
XLogP2.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 92930229
(2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 102695287
(2R)-N-(2-fluoro-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 113264214
methyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate
CID 119299818
4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871126
5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914464
(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330
methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate
CID 43712698
4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119709484
(2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 113263992
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
4-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914466

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119281659) is N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride is COc1ccc(NC(=O)C2CCCN2)c(C)c1.Cl.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is HAWMENUIKBGIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-9-8-10(17-2)5-6-11(9)15-13(16)12-4-3-7-14-12;/h5-6,8,12,14H,3-4,7H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119281659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).