2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide

C14H21NO3 — CID 67514620

IUPAC2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)(O)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C14H21NO3/c1-3-9-14(2,18)13(17)15-10-8-11-4-6-12(16)7-5-11/h4-7,16,18H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyZPIVZXXYLPZRIF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.60
Rot. Bonds6

About 2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide

2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide (PubChem CID 67514620) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide
PubChem CID67514620
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)(O)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C14H21NO3/c1-3-9-14(2,18)13(17)15-10-8-11-4-6-12(16)7-5-11/h4-7,16,18H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyZPIVZXXYLPZRIF-UHFFFAOYSA-N
XLogP1.60
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 60847510
N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502974
N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602898
N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide
CID 18983792
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
1-[2-(4-hydroxyphenyl)ethyl]-3-octadecylurea
CID 18183924
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503230
6-amino-N-[2-(4-hydroxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 65292067
N'-tert-butyl-N'-ethyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503174
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703
2-hydroxy-2-methyl-N-(2-phenylethyl)propanamide
CID 71525164
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
CID 132962553

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide?
The IUPAC name of 2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide (CID 67514620) is 2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide.
What is the SMILES notation for 2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide?
The canonical SMILES for 2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide is CCCC(C)(O)C(=O)NCCc1ccc(O)cc1.
What is the InChIKey of 2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide?
The InChIKey is ZPIVZXXYLPZRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-9-14(2,18)13(17)15-10-8-11-4-6-12(16)7-5-11/h4-7,16,18H,3,8-10H2,1-2H3,(H,15,17).
What are the key properties of 2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide?
2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide has a molecular weight of 251.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide is sourced from PubChem (CID 67514620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).