1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride

C22H45ClN2O — CID 162369758

IUPAC1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride
SMILESCCCCCCCCCCCCCCCCNC(=O)C1(N)CCCC1.Cl
InChIInChI=1S/C22H44N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-24-21(25)22(23)18-15-16-19-22;/h2-20,23H2,1H3,(H,24,25);1H
InChIKeyRIJNHIAWKRDUDE-UHFFFAOYSA-N
MW389.07 g/mol
LogP6.28
Rot. Bonds16

About 1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride

1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 162369758) has the molecular formula C22H45ClN2O and a molecular weight of 389.07 g/mol. Its IUPAC name is 1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride
PubChem CID162369758
Molecular FormulaC22H45ClN2O
Molecular Weight389.07 g/mol
Exact Mass388.32
IUPAC Name1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride
SMILESCCCCCCCCCCCCCCCCNC(=O)C1(N)CCCC1.Cl
InChIInChI=1S/C22H44N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-24-21(25)22(23)18-15-16-19-22;/h2-20,23H2,1H3,(H,24,25);1H
InChIKeyRIJNHIAWKRDUDE-UHFFFAOYSA-N
XLogP6.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.07
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 81167514
1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide
CID 132573279
N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119290745
1-amino-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301742
4-amino-N-butyloxane-4-carboxamide
CID 115293500
2-(1-aminocyclopentyl)-N-pentylacetamide
CID 64684132
1-amino-N-(3-methylsulfonylpropyl)cyclopentane-1-carboxamide
CID 61036737
1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119290733
1-amino-N-(3-hydroxypropyl)cyclobutane-1-carboxamide
CID 81179934
1-amino-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide;hydrochloride
CID 119279539
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride
CID 119295324
1-N'-hexyl-1-N-methylcyclobutane-1,1-dicarboxamide
CID 71878534

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride (CID 162369758) is 1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride is CCCCCCCCCCCCCCCCNC(=O)C1(N)CCCC1.Cl.
What is the InChIKey of 1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is RIJNHIAWKRDUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-24-21(25)22(23)18-15-16-19-22;/h2-20,23H2,1H3,(H,24,25);1H.
What are the key properties of 1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride?
1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 389.07 g/mol, XLogP of 6.28, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 162369758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).