2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(oxan-4-yl)acetamide

C16H23NO4 — CID 63366534

IUPAC2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(oxan-4-yl)acetamide
SMILESCc1ccc(OCC(=O)NC2CCOCC2)c([C@@H](C)O)c1
InChIInChI=1S/C16H23NO4/c1-11-3-4-15(14(9-11)12(2)18)21-10-16(19)17-13-5-7-20-8-6-13/h3-4,9,12-13,18H,5-8,10H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyJNYQSJWHKANPFM-GFCCVEGCSA-N
MW293.36 g/mol
LogP1.72
Rot. Bonds5

About 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(oxan-4-yl)acetamide

2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(oxan-4-yl)acetamide (PubChem CID 63366534) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(oxan-4-yl)acetamide
PubChem CID63366534
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(oxan-4-yl)acetamide
SMILESCc1ccc(OCC(=O)NC2CCOCC2)c([C@@H](C)O)c1
InChIInChI=1S/C16H23NO4/c1-11-3-4-15(14(9-11)12(2)18)21-10-16(19)17-13-5-7-20-8-6-13/h3-4,9,12-13,18H,5-8,10H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyJNYQSJWHKANPFM-GFCCVEGCSA-N
XLogP1.72
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]acetamide
CID 63366475
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63639424
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63325624
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 63365039
N-cyclopropyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 43505232
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
N-cyclopropyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639605
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78933846
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326335
N-cyclopentyl-2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]acetamide
CID 63067515
N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78767495

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(oxan-4-yl)acetamide (CID 63366534) is 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(oxan-4-yl)acetamide is Cc1ccc(OCC(=O)NC2CCOCC2)c([C@@H](C)O)c1.
What is the InChIKey of 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(oxan-4-yl)acetamide?
The InChIKey is JNYQSJWHKANPFM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11-3-4-15(14(9-11)12(2)18)21-10-16(19)17-13-5-7-20-8-6-13/h3-4,9,12-13,18H,5-8,10H2,1-2H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(oxan-4-yl)acetamide?
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(oxan-4-yl)acetamide has a molecular weight of 293.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63366534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).