5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide

C15H23NO2 — CID 112510395

IUPAC5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide
SMILESCCNC(=O)CCCC(O)c1ccc(C)cc1C
InChIInChI=1S/C15H23NO2/c1-4-16-15(18)7-5-6-14(17)13-9-8-11(2)10-12(13)3/h8-10,14,17H,4-7H2,1-3H3,(H,16,18)
InChIKeyLZRGOQHTVKZEJK-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.64
Rot. Bonds6

About 5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide

5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide (PubChem CID 112510395) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide
PubChem CID112510395
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide
SMILESCCNC(=O)CCCC(O)c1ccc(C)cc1C
InChIInChI=1S/C15H23NO2/c1-4-16-15(18)7-5-6-14(17)13-9-8-11(2)10-12(13)3/h8-10,14,17H,4-7H2,1-3H3,(H,16,18)
InChIKeyLZRGOQHTVKZEJK-UHFFFAOYSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-4-methylsulfonylbutan-1-ol
CID 65147990
(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
CID 93182212
3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol
CID 82074631
1-(2,4-dimethylphenyl)-3-methylsulfonylpropan-1-ol
CID 65148088
3-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 82216029
1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol
CID 61100605
4-(2,4-dimethylphenyl)-4-hydroxybutanenitrile
CID 82075433
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
4-cyano-4-(2,4-dimethylphenyl)-N-prop-2-enylbutanamide
CID 112516514
ethyl (2S)-2-(2,4-dimethylphenyl)-2-hydroxyacetate
CID 102392309
methyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate
CID 82347110
5-(2,4-dimethylphenyl)heptan-2-one
CID 83927995

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide?
The IUPAC name of 5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide (CID 112510395) is 5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide?
The canonical SMILES for 5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide is CCNC(=O)CCCC(O)c1ccc(C)cc1C.
What is the InChIKey of 5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide?
The InChIKey is LZRGOQHTVKZEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-16-15(18)7-5-6-14(17)13-9-8-11(2)10-12(13)3/h8-10,14,17H,4-7H2,1-3H3,(H,16,18).
What are the key properties of 5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide?
5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide has a molecular weight of 249.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide is sourced from PubChem (CID 112510395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).