N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride

C16H27ClN2O2 — CID 119406247

IUPACN-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
SMILESCOc1ccc(CCCCCC(=O)NCCCN)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-20-15-10-8-14(9-11-15)6-3-2-4-7-16(19)18-13-5-12-17;/h8-11H,2-7,12-13,17H2,1H3,(H,18,19);1H
InChIKeyHYDXFJIRNBYDBQ-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.68
Rot. Bonds10

About N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride

N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride (PubChem CID 119406247) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
PubChem CID119406247
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
SMILESCOc1ccc(CCCCCC(=O)NCCCN)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-20-15-10-8-14(9-11-15)6-3-2-4-7-16(19)18-13-5-12-17;/h8-11H,2-7,12-13,17H2,1H3,(H,18,19);1H
InChIKeyHYDXFJIRNBYDBQ-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
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

N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
CID 110309527
N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119496458
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500056
2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 119299625
5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
CID 110297852
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide
CID 119406266
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
4-amino-N-[3-(4-methoxyphenyl)propyl]pentanamide
CID 120560980
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride (CID 119406247) is N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride is COc1ccc(CCCCCC(=O)NCCCN)cc1.Cl.
What is the InChIKey of N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride?
The InChIKey is HYDXFJIRNBYDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-20-15-10-8-14(9-11-15)6-3-2-4-7-16(19)18-13-5-12-17;/h8-11H,2-7,12-13,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride?
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride is sourced from PubChem (CID 119406247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).