2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride

C12H25ClN2O3 — CID 119340229

IUPAC2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCCCOC1CCOC1.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-2-4-11(13)12(15)14-6-3-7-17-10-5-8-16-9-10;/h10-11H,2-9,13H2,1H3,(H,14,15);1H
InChIKeyARHASNCLARWQHV-UHFFFAOYSA-N
MW280.80 g/mol
LogP0.85
Rot. Bonds8

About 2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride

2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride (PubChem CID 119340229) has the molecular formula C12H25ClN2O3 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride
PubChem CID119340229
Molecular FormulaC12H25ClN2O3
Molecular Weight280.80 g/mol
Exact Mass280.16
IUPAC Name2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCCCOC1CCOC1.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-2-4-11(13)12(15)14-6-3-7-17-10-5-8-16-9-10;/h10-11H,2-9,13H2,1H3,(H,14,15);1H
InChIKeyARHASNCLARWQHV-UHFFFAOYSA-N
XLogP0.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide
CID 119812727
(2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119340221
2-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]propanamide;hydrochloride
CID 119340219
2-amino-N-(2-cyclopentyloxyethyl)pentanamide
CID 63827048
(2R)-2-amino-N-(2-cyclopentyloxyethyl)pentanamide
CID 103795665
3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide
CID 119812709
(2R)-2-amino-N-(2-cyclohexyloxyethyl)pentanamide
CID 98582827
4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674287
2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride
CID 119340205
(2S)-2-amino-N-(2-cyclopentyloxyethyl)hexanamide
CID 98585845
(2R)-2-amino-N-butylpentanamide
CID 82668431
ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate
CID 55214308

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride (CID 119340229) is 2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCCCOC1CCOC1.Cl.
What is the InChIKey of 2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride?
The InChIKey is ARHASNCLARWQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3.ClH/c1-2-4-11(13)12(15)14-6-3-7-17-10-5-8-16-9-10;/h10-11H,2-9,13H2,1H3,(H,14,15);1H.
What are the key properties of 2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride?
2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride is sourced from PubChem (CID 119340229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).