N-(3-amino-2,2-dimethylpropyl)-1-(3-methoxy-4-methylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride

C20H33ClN2O2 — CID 119654019

IUPACN-(3-amino-2,2-dimethylpropyl)-1-(3-methoxy-4-methylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
SMILESCOc1cc(C2(C(=O)N(C)CC(C)(C)CN)CCCC2)ccc1C.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-15-8-9-16(12-17(15)24-5)20(10-6-7-11-20)18(23)22(4)14-19(2,3)13-21;/h8-9,12H,6-7,10-11,13-14,21H2,1-5H3;1H
InChIKeyAQCKUUOOYLEPBA-UHFFFAOYSA-N
MW368.95 g/mol
LogP3.68
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-1-(3-methoxy-4-methylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-1-(3-methoxy-4-methylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 119654019) has the molecular formula C20H33ClN2O2 and a molecular weight of 368.95 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1-(3-methoxy-4-methylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1-(3-methoxy-4-methylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
PubChem CID119654019
Molecular FormulaC20H33ClN2O2
Molecular Weight368.95 g/mol
Exact Mass368.22
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1-(3-methoxy-4-methylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
SMILESCOc1cc(C2(C(=O)N(C)CC(C)(C)CN)CCCC2)ccc1C.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-15-8-9-16(12-17(15)24-5)20(10-6-7-11-20)18(23)22(4)14-19(2,3)13-21;/h8-9,12H,6-7,10-11,13-14,21H2,1-5H3;1H
InChIKeyAQCKUUOOYLEPBA-UHFFFAOYSA-N
XLogP3.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.95
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 119653882
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
N-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide
CID 109399825
N-(3-amino-2,2-dimethylpropyl)-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide;hydrochloride
CID 119656558
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide
CID 119496437
1-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 112823691
1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide
CID 119125744
1,4-diazepan-1-yl-[1-(3-methoxy-4-methylphenyl)cyclopentyl]methanone
CID 119415679
2-(3-methoxy-4-methylphenyl)spiro[3.3]heptane-2-carboxylic acid
CID 65009437
1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide
CID 124615693
1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide
CID 90651852

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(3-methoxy-4-methylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(3-methoxy-4-methylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride (CID 119654019) is N-(3-amino-2,2-dimethylpropyl)-1-(3-methoxy-4-methylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1-(3-methoxy-4-methylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1-(3-methoxy-4-methylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride is COc1cc(C2(C(=O)N(C)CC(C)(C)CN)CCCC2)ccc1C.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1-(3-methoxy-4-methylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is AQCKUUOOYLEPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2.ClH/c1-15-8-9-16(12-17(15)24-5)20(10-6-7-11-20)18(23)22(4)14-19(2,3)13-21;/h8-9,12H,6-7,10-11,13-14,21H2,1-5H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1-(3-methoxy-4-methylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-1-(3-methoxy-4-methylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 368.95 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-1-(3-methoxy-4-methylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119654019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).