N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride

C15H23ClN2O3 — CID 119674836

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2(C)CCNC2)cc1OC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-15(6-7-16-10-15)14(18)17-9-11-4-5-12(19-2)13(8-11)20-3;/h4-5,8,16H,6-7,9-10H2,1-3H3,(H,17,18);1H
InChIKeyJELCYBFBQPIWLO-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.74
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride

N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119674836) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119674836
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2(C)CCNC2)cc1OC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-15(6-7-16-10-15)14(18)17-9-11-4-5-12(19-2)13(8-11)20-3;/h4-5,8,16H,6-7,9-10H2,1-3H3,(H,17,18);1H
InChIKeyJELCYBFBQPIWLO-UHFFFAOYSA-N
XLogP1.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119690622
N-[(4-methoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119673811
N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119705250
3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 119943959
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 107231126
N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63363044
N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119719922
1-amino-N-[(3,4-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119263568
N-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707914
3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 86780162
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119720011
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63141698

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride (CID 119674836) is N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride is COc1ccc(CNC(=O)C2(C)CCNC2)cc1OC.Cl.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is JELCYBFBQPIWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-15(6-7-16-10-15)14(18)17-9-11-4-5-12(19-2)13(8-11)20-3;/h4-5,8,16H,6-7,9-10H2,1-3H3,(H,17,18);1H.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride?
N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119674836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).