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

C17H29ClN2O2 — CID 119496458

IUPACN-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
SMILESCOc1ccc(CCCCCC(=O)NCCC(C)N)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-14(18)12-13-19-17(20)7-5-3-4-6-15-8-10-16(21-2)11-9-15;/h8-11,14H,3-7,12-13,18H2,1-2H3,(H,19,20);1H
InChIKeyFIQCGALXHFOBRR-UHFFFAOYSA-N
MW328.88 g/mol
LogP3.07
Rot. Bonds10

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

N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride (PubChem CID 119496458) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
PubChem CID119496458
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC NameN-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
SMILESCOc1ccc(CCCCCC(=O)NCCC(C)N)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-14(18)12-13-19-17(20)7-5-3-4-6-15-8-10-16(21-2)11-9-15;/h8-11,14H,3-7,12-13,18H2,1-2H3,(H,19,20);1H
InChIKeyFIQCGALXHFOBRR-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 53.07
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-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019
5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
CID 110297852
4-amino-N-[3-(4-methoxyphenyl)propyl]pentanamide
CID 120560980
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247
N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119496713
N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
CID 110309527
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500056
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119497823

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride (CID 119496458) is N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride is COc1ccc(CCCCCC(=O)NCCC(C)N)cc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride?
The InChIKey is FIQCGALXHFOBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-14(18)12-13-19-17(20)7-5-3-4-6-15-8-10-16(21-2)11-9-15;/h8-11,14H,3-7,12-13,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride?
N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 3.07, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride is sourced from PubChem (CID 119496458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).