4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride

C16H27ClN2O2 — CID 120561833

IUPAC4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCCCCOCc1ccccc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-14(17)9-10-16(19)18-11-5-6-12-20-13-15-7-3-2-4-8-15;/h2-4,7-8,14H,5-6,9-13,17H2,1H3,(H,18,19);1H
InChIKeyKLMHQLXSBPRLHN-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.65
Rot. Bonds10

About 4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride

4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride (PubChem CID 120561833) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride
PubChem CID120561833
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCCCCOCc1ccccc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-14(17)9-10-16(19)18-11-5-6-12-20-13-15-7-3-2-4-8-15;/h2-4,7-8,14H,5-6,9-13,17H2,1H3,(H,18,19);1H
InChIKeyKLMHQLXSBPRLHN-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.65
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

4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424
5-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119234260
2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide
CID 119763496
4-amino-N-(3-ethoxypropyl)pentanamide;hydrochloride
CID 120558779
3-methyl-5-oxo-5-(3-phenylmethoxypropylamino)pentanoic acid
CID 62965038
4-amino-N-phenylmethoxypentanamide
CID 64974762
3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide
CID 62670890
2-amino-2-methyl-N-(4-phenylmethoxybutyl)propanamide
CID 119311846
4-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]pentanamide;dihydrochloride
CID 120565898
4-amino-N-(3-anilinopropyl)pentanamide
CID 120565112
(2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide
CID 103929639
N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide
CID 49381134

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride (CID 120561833) is 4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride is CC(N)CCC(=O)NCCCCOCc1ccccc1.Cl.
What is the InChIKey of 4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride?
The InChIKey is KLMHQLXSBPRLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-14(17)9-10-16(19)18-11-5-6-12-20-13-15-7-3-2-4-8-15;/h2-4,7-8,14H,5-6,9-13,17H2,1H3,(H,18,19);1H.
What are the key properties of 4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride?
4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride is sourced from PubChem (CID 120561833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).