6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride

C14H23ClN2O2 — CID 51041246

IUPAC6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride
SMILESCC(NC(=O)CCCCCN)c1ccc(O)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-11(12-6-8-13(17)9-7-12)16-14(18)5-3-2-4-10-15;/h6-9,11,17H,2-5,10,15H2,1H3,(H,16,18);1H
InChIKeyNUIWFDGSSWYVFO-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.51
Rot. Bonds7

About 6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride

6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride (PubChem CID 51041246) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride.

Molecular Properties

Compound Name6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride
PubChem CID51041246
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride
SMILESCC(NC(=O)CCCCCN)c1ccc(O)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-11(12-6-8-13(17)9-7-12)16-14(18)5-3-2-4-10-15;/h6-9,11,17H,2-5,10,15H2,1H3,(H,16,18);1H
InChIKeyNUIWFDGSSWYVFO-UHFFFAOYSA-N
XLogP2.51
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
CID 81359837
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide
CID 119741155
4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride
CID 119269129
6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 61166957
7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride
CID 119998836
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747
6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide
CID 81366520

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride?
The IUPAC name of 6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride (CID 51041246) is 6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride.
What is the SMILES notation for 6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride?
The canonical SMILES for 6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride is CC(NC(=O)CCCCCN)c1ccc(O)cc1.Cl.
What is the InChIKey of 6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride?
The InChIKey is NUIWFDGSSWYVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-11(12-6-8-13(17)9-7-12)16-14(18)5-3-2-4-10-15;/h6-9,11,17H,2-5,10,15H2,1H3,(H,16,18);1H.
What are the key properties of 6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride?
6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride is sourced from PubChem (CID 51041246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).