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

C23H31ClN2O3 — CID 119754116

IUPAC3-amino-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccc(C(Cc2ccccc2C)NC(=O)C2CCC(N)C2)cc1OC.Cl
InChIInChI=1S/C23H30N2O3.ClH/c1-15-6-4-5-7-16(15)13-20(25-23(26)18-8-10-19(24)12-18)17-9-11-21(27-2)22(14-17)28-3;/h4-7,9,11,14,18-20H,8,10,12-13,24H2,1-3H3,(H,25,26);1H
InChIKeyIZKABKOSVCKRHB-UHFFFAOYSA-N
MW418.97 g/mol
LogP3.96
Rot. Bonds7

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

3-amino-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119754116) has the molecular formula C23H31ClN2O3 and a molecular weight of 418.97 g/mol. Its IUPAC name is 3-amino-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119754116
Molecular FormulaC23H31ClN2O3
Molecular Weight418.97 g/mol
Exact Mass418.20
IUPAC Name3-amino-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccc(C(Cc2ccccc2C)NC(=O)C2CCC(N)C2)cc1OC.Cl
InChIInChI=1S/C23H30N2O3.ClH/c1-15-6-4-5-7-16(15)13-20(25-23(26)18-8-10-19(24)12-18)17-9-11-21(27-2)22(14-17)28-3;/h4-7,9,11,14,18-20H,8,10,12-13,24H2,1-3H3,(H,25,26);1H
InChIKeyIZKABKOSVCKRHB-UHFFFAOYSA-N
XLogP3.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.97
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]cyclopentane-1-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-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119754132
(2S,5R)-5-(aminomethyl)-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120790221
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 66010445
3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide
CID 119765075
3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 81387626
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 63044500
3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide
CID 119798178
(1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
CID 42058451
3-amino-N-[3-[(2-methylphenyl)methoxy]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119785191
3-(cyclohexanecarbonylamino)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 3621497
3-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119788200
3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 119696247

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride (CID 119754116) is 3-amino-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride is COc1ccc(C(Cc2ccccc2C)NC(=O)C2CCC(N)C2)cc1OC.Cl.
What is the InChIKey of 3-amino-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is IZKABKOSVCKRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3.ClH/c1-15-6-4-5-7-16(15)13-20(25-23(26)18-8-10-19(24)12-18)17-9-11-21(27-2)22(14-17)28-3;/h4-7,9,11,14,18-20H,8,10,12-13,24H2,1-3H3,(H,25,26);1H.
What are the key properties of 3-amino-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 418.97 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119754116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).