1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride

C16H25ClN2O2 — CID 119306290

IUPAC1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)OCc1cccc(NC(=O)C2(N)CCCC2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(2)20-11-13-6-5-7-14(10-13)18-15(19)16(17)8-3-4-9-16;/h5-7,10,12H,3-4,8-9,11,17H2,1-2H3,(H,18,19);1H
InChIKeyONXWMBSVEOIRTC-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.24
Rot. Bonds5

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

1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119306290) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119306290
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)OCc1cccc(NC(=O)C2(N)CCCC2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(2)20-11-13-6-5-7-14(10-13)18-15(19)16(17)8-3-4-9-16;/h5-7,10,12H,3-4,8-9,11,17H2,1-2H3,(H,18,19);1H
InChIKeyONXWMBSVEOIRTC-UHFFFAOYSA-N
XLogP3.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]cyclopentane-1-carboxamide
CID 119306444
1-amino-N-[3-(methoxymethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288741
1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119324028
1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119327475
methyl 2-[[3-[(1-aminocyclopentanecarbonyl)amino]phenyl]methylsulfanyl]acetate;hydrochloride
CID 119318856
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 60854804
1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119308070
N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
CID 119280076
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
2-[2-oxo-2-[3-(propan-2-yloxymethyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108696

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119306290) is 1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride is CC(C)OCc1cccc(NC(=O)C2(N)CCCC2)c1.Cl.
What is the InChIKey of 1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is ONXWMBSVEOIRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12(2)20-11-13-6-5-7-14(10-13)18-15(19)16(17)8-3-4-9-16;/h5-7,10,12H,3-4,8-9,11,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119306290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).