N-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide

C14H19NO3 — CID 53360343

IUPACN-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H19NO3/c1-10(2)3-8-14(18)15-9-13(17)11-4-6-12(16)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyUASYVGIIXUPYNP-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide

N-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide (PubChem CID 53360343) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide
PubChem CID53360343
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H19NO3/c1-10(2)3-8-14(18)15-9-13(17)11-4-6-12(16)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyUASYVGIIXUPYNP-UHFFFAOYSA-N
XLogP2.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(4-hydroxyphenyl)pentan-1-one
CID 155205061
2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 107870506
N-(3-methylbutyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110295011
2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 60678370
3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide
CID 143274718
4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
CID 43625084
(2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid
CID 119238547
4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide
CID 114332833
(2R)-3-(4-hydroxyphenyl)-2-(4-methylpentanoylamino)propanoic acid
CID 28777757
4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide
CID 168861520
1-(4-hydroxyphenyl)-4-methylhexane-1,3-dione
CID 66764212
[2-(2-methylpropylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2371049

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide (CID 53360343) is N-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide is CC(C)CCC(=O)NCC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide?
The InChIKey is UASYVGIIXUPYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)3-8-14(18)15-9-13(17)11-4-6-12(16)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide?
N-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide has a molecular weight of 249.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide is sourced from PubChem (CID 53360343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).