3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride

C17H27ClN2O2 — CID 119819930

IUPAC3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCC(CNC(=O)C1CCC(N)C1)Oc1ccccc1C.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-3-15(21-16-7-5-4-6-12(16)2)11-19-17(20)13-8-9-14(18)10-13;/h4-7,13-15H,3,8-11,18H2,1-2H3,(H,19,20);1H
InChIKeyLPLQDLVEGZTWNA-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.82
Rot. Bonds6

About 3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119819930) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119819930
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCC(CNC(=O)C1CCC(N)C1)Oc1ccccc1C.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-3-15(21-16-7-5-4-6-12(16)2)11-19-17(20)13-8-9-14(18)10-13;/h4-7,13-15H,3,8-11,18H2,1-2H3,(H,19,20);1H
InChIKeyLPLQDLVEGZTWNA-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride
CID 119813328
3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119819932
3-amino-N-[2-(2-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119742919
2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)butyl]acetamide
CID 119819945
3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804683
3-amino-N-[2-(2-chlorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119725465
trans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 124778177
2-methyl-1-[2-(2-methylphenoxy)butyl]guanidine;hydroiodide
CID 111800301
3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119830666
3-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide
CID 119399183
3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide
CID 119742923
3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119813326

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride (CID 119819930) is 3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride is CCC(CNC(=O)C1CCC(N)C1)Oc1ccccc1C.Cl.
What is the InChIKey of 3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is LPLQDLVEGZTWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-3-15(21-16-7-5-4-6-12(16)2)11-19-17(20)13-8-9-14(18)10-13;/h4-7,13-15H,3,8-11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119819930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).