3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride

C17H27ClN2O2 — CID 119751138

IUPAC3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)COc1cccc(CNC(=O)C2CCC(N)C2)c1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12(2)11-21-16-5-3-4-13(8-16)10-19-17(20)14-6-7-15(18)9-14;/h3-5,8,12,14-15H,6-7,9-11,18H2,1-2H3,(H,19,20);1H
InChIKeyVMOMKVBZASQNPX-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.89
Rot. Bonds6

About 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119751138) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119751138
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)COc1cccc(CNC(=O)C2CCC(N)C2)c1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12(2)11-21-16-5-3-4-13(8-16)10-19-17(20)14-6-7-15(18)9-14;/h3-5,8,12,14-15H,6-7,9-11,18H2,1-2H3,(H,19,20);1H
InChIKeyVMOMKVBZASQNPX-UHFFFAOYSA-N
XLogP2.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119712572
(2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120625841
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CID 119719918
3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119732512
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
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2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
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CID 120789949
3-amino-N-[[2-(2-methylpropoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119739863
(3R,6S)-1-acetyl-6-amino-N-[(3-phenylmethoxyphenyl)methyl]azepane-3-carboxamide;hydrochloride
CID 166598822
N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119751138) is 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride is CC(C)COc1cccc(CNC(=O)C2CCC(N)C2)c1.Cl.
What is the InChIKey of 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is VMOMKVBZASQNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-12(2)11-21-16-5-3-4-13(8-16)10-19-17(20)14-6-7-15(18)9-14;/h3-5,8,12,14-15H,6-7,9-11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119751138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).