N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H21NO3 — CID 112602898

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-10-13(17)15-9-8-11-4-6-12(16)7-5-11/h4-7,16H,8-10H2,1-3H3,(H,15,17)
InChIKeyPUIIHLCLVVWJJQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.87
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112602898) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112602898
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-10-13(17)15-9-8-11-4-6-12(16)7-5-11/h4-7,16H,8-10H2,1-3H3,(H,15,17)
InChIKeyPUIIHLCLVVWJJQ-UHFFFAOYSA-N
XLogP1.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide
CID 112604896
2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide
CID 112605093
6-amino-N-[2-(4-hydroxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 65292067
tert-butyl (3R,4R)-3,4-bis[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 154961403
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 134170006
N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47292025
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503230
N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604876
2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide
CID 67514620
N-[2-(4-ethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 174483925

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112602898) is N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NCCc1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is PUIIHLCLVVWJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)18-10-13(17)15-9-8-11-4-6-12(16)7-5-11/h4-7,16H,8-10H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112602898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).