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

C18H29ClN2O3 — CID 119777599

IUPAC3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccc(C(C)(C)CNC(=O)C2CCC(N)C2)cc1OC.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-18(2,11-20-17(21)12-5-7-14(19)9-12)13-6-8-15(22-3)16(10-13)23-4;/h6,8,10,12,14H,5,7,9,11,19H2,1-4H3,(H,20,21);1H
InChIKeyPBWOBIPYNWHRNP-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.65
Rot. Bonds6

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

3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119777599) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119777599
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccc(C(C)(C)CNC(=O)C2CCC(N)C2)cc1OC.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-18(2,11-20-17(21)12-5-7-14(19)9-12)13-6-8-15(22-3)16(10-13)23-4;/h6,8,10,12,14H,5,7,9,11,19H2,1-4H3,(H,20,21);1H
InChIKeyPBWOBIPYNWHRNP-UHFFFAOYSA-N
XLogP2.65
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 66010445
3-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119788200
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119774826
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792481
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride
CID 119777591
3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119767075
3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119786045
methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate
CID 119789350
3-amino-N-(2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 66009656
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591873
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 110441966
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 119945325

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride (CID 119777599) is 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride is COc1ccc(C(C)(C)CNC(=O)C2CCC(N)C2)cc1OC.Cl.
What is the InChIKey of 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is PBWOBIPYNWHRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-18(2,11-20-17(21)12-5-7-14(19)9-12)13-6-8-15(22-3)16(10-13)23-4;/h6,8,10,12,14H,5,7,9,11,19H2,1-4H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119777599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).