N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

C22H29ClN2O3 — CID 119754132

IUPACN-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(C(Cc2ccccc2C)NC(=O)C2CCNC2)cc1OC.Cl
InChIInChI=1S/C22H28N2O3.ClH/c1-15-6-4-5-7-16(15)12-19(24-22(25)18-10-11-23-14-18)17-8-9-20(26-2)21(13-17)27-3;/h4-9,13,18-19,23H,10-12,14H2,1-3H3,(H,24,25);1H
InChIKeyKSVKMXLQZFINKS-UHFFFAOYSA-N
MW404.94 g/mol
LogP3.44
Rot. Bonds7

About N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119754132) has the molecular formula C22H29ClN2O3 and a molecular weight of 404.94 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119754132
Molecular FormulaC22H29ClN2O3
Molecular Weight404.94 g/mol
Exact Mass404.19
IUPAC NameN-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(C(Cc2ccccc2C)NC(=O)C2CCNC2)cc1OC.Cl
InChIInChI=1S/C22H28N2O3.ClH/c1-15-6-4-5-7-16(15)12-19(24-22(25)18-10-11-23-14-18)17-8-9-20(26-2)21(13-17)27-3;/h4-9,13,18-19,23H,10-12,14H2,1-3H3,(H,24,25);1H
InChIKeyKSVKMXLQZFINKS-UHFFFAOYSA-N
XLogP3.44
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119754116
(2S,5R)-5-(aminomethyl)-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120790221
N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride
CID 119312817
N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide
CID 119312818
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119721176
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288240
3-(cyclohexanecarbonylamino)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 3621497
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
N-[1-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 43708609
1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide
CID 46766819

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119754132) is N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is COc1ccc(C(Cc2ccccc2C)NC(=O)C2CCNC2)cc1OC.Cl.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is KSVKMXLQZFINKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3.ClH/c1-15-6-4-5-7-16(15)12-19(24-22(25)18-10-11-23-14-18)17-8-9-20(26-2)21(13-17)27-3;/h4-9,13,18-19,23H,10-12,14H2,1-3H3,(H,24,25);1H.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 404.94 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119754132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).