N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide

C15H23NO2 — CID 54912821

IUPACN-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide
SMILESCCCCCC(=O)N(C)C(C)c1ccc(O)cc1
InChIInChI=1S/C15H23NO2/c1-4-5-6-7-15(18)16(3)12(2)13-8-10-14(17)11-9-13/h8-12,17H,4-7H2,1-3H3
InChIKeyMYVKIPPEGGGNMY-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.49
Rot. Bonds6

About N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide

N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide (PubChem CID 54912821) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide
PubChem CID54912821
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide
SMILESCCCCCC(=O)N(C)C(C)c1ccc(O)cc1
InChIInChI=1S/C15H23NO2/c1-4-5-6-7-15(18)16(3)12(2)13-8-10-14(17)11-9-13/h8-12,17H,4-7H2,1-3H3
InChIKeyMYVKIPPEGGGNMY-UHFFFAOYSA-N
XLogP3.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 61042848
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 75870203
N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide
CID 86918334
N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide
CID 114875153
N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide
CID 166191857
6-[1-(4-fluorophenyl)ethyl-methylamino]-6-oxohexanoic acid
CID 60952600
6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 54870705
3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide
CID 103208632
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 54916026
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
N-[1-(2,5-difluorophenyl)ethyl]-N-methylhexanamide
CID 86925812
8-(4-hydroxyphenyl)octadecanoic acid
CID 101311385

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide (CID 54912821) is N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide is CCCCCC(=O)N(C)C(C)c1ccc(O)cc1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide?
The InChIKey is MYVKIPPEGGGNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-5-6-7-15(18)16(3)12(2)13-8-10-14(17)11-9-13/h8-12,17H,4-7H2,1-3H3.
What are the key properties of N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide?
N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide has a molecular weight of 249.35 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide is sourced from PubChem (CID 54912821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).