3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride

C15H23ClN2O2 — CID 119694903

IUPAC3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCCCOc2ccccc2)C1
InChIInChI=1S/C15H22N2O2.ClH/c16-13-8-7-12(11-13)15(18)17-9-4-10-19-14-5-2-1-3-6-14;/h1-3,5-6,12-13H,4,7-11,16H2,(H,17,18);1H
InChIKeyHTBPABLVTJYNOI-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.12
Rot. Bonds6

About 3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride

3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119694903) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119694903
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCCCOc2ccccc2)C1
InChIInChI=1S/C15H22N2O2.ClH/c16-13-8-7-12(11-13)15(18)17-9-4-10-19-14-5-2-1-3-6-14;/h1-3,5-6,12-13H,4,7-11,16H2,(H,17,18);1H
InChIKeyHTBPABLVTJYNOI-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119734978
3-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119736703
4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 79527047
3-amino-N-[[4-(4-phenoxybutanoylamino)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119718484
3-amino-N-[2-(2-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119742919
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
3-amino-N-[3-(furan-2-ylmethoxy)propyl]cyclopentane-1-carboxamide
CID 66008372
3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693830
3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride
CID 119901932
(2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 120617690
trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 97123271

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride (CID 119694903) is 3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)NCCCOc2ccccc2)C1.
What is the InChIKey of 3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is HTBPABLVTJYNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c16-13-8-7-12(11-13)15(18)17-9-4-10-19-14-5-2-1-3-6-14;/h1-3,5-6,12-13H,4,7-11,16H2,(H,17,18);1H.
What are the key properties of 3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.12, 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-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119694903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).