2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide

C15H23NO2 — CID 107735712

IUPAC2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide
SMILESCCCCC(CC)C(=O)N(C)c1cccc(O)c1
InChIInChI=1S/C15H23NO2/c1-4-6-8-12(5-2)15(18)16(3)13-9-7-10-14(17)11-13/h7,9-12,17H,4-6,8H2,1-3H3
InChIKeyHVOMDWAWQGDDFY-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.57
Rot. Bonds6

About 2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide

2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide (PubChem CID 107735712) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide.

Molecular Properties

Compound Name2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide
PubChem CID107735712
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide
SMILESCCCCC(CC)C(=O)N(C)c1cccc(O)c1
InChIInChI=1S/C15H23NO2/c1-4-6-8-12(5-2)15(18)16(3)13-9-7-10-14(17)11-13/h7,9-12,17H,4-6,8H2,1-3H3
InChIKeyHVOMDWAWQGDDFY-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide
CID 107734784
N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107735913
4-[2-ethylhexanoyl(methyl)amino]benzoic acid
CID 104698018
N-(3-hydroxyphenyl)-N-methylnonanamide
CID 107736082
3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107734648
(2R)-2-amino-N-(3-hydroxyphenyl)-N-methylpropanamide
CID 107734692
2-[3-[2-ethylbutanoyl(methyl)amino]phenyl]acetic acid
CID 28759868
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
1-(3-hydroxyphenyl)-1-methyl-3-propylurea
CID 107734166
N-(3-hydroxyphenyl)-N,4-dimethylpentanamide
CID 107735895
2-ethyl-N,N-dimethylhexanamide
CID 3019000
2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide
CID 115186940

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide?
The IUPAC name of 2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide (CID 107735712) is 2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide.
What is the SMILES notation for 2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide?
The canonical SMILES for 2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide is CCCCC(CC)C(=O)N(C)c1cccc(O)c1.
What is the InChIKey of 2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide?
The InChIKey is HVOMDWAWQGDDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-6-8-12(5-2)15(18)16(3)13-9-7-10-14(17)11-13/h7,9-12,17H,4-6,8H2,1-3H3.
What are the key properties of 2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide?
2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide has a molecular weight of 249.35 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide is sourced from PubChem (CID 107735712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).