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

C15H23NO3 — CID 63365039

IUPAC2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide
SMILESCc1ccc(OCC(=O)NCC(C)C)c([C@@H](C)O)c1
InChIInChI=1S/C15H23NO3/c1-10(2)8-16-15(18)9-19-14-6-5-11(3)7-13(14)12(4)17/h5-7,10,12,17H,8-9H2,1-4H3,(H,16,18)/t12-/m1/s1
InChIKeyQIOUTEOUBMAQDB-GFCCVEGCSA-N
MW265.35 g/mol
LogP2.20
Rot. Bonds6

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

2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 63365039) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide
PubChem CID63365039
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide
SMILESCc1ccc(OCC(=O)NCC(C)C)c([C@@H](C)O)c1
InChIInChI=1S/C15H23NO3/c1-10(2)8-16-15(18)9-19-14-6-5-11(3)7-13(14)12(4)17/h5-7,10,12,17H,8-9H2,1-4H3,(H,16,18)/t12-/m1/s1
InChIKeyQIOUTEOUBMAQDB-GFCCVEGCSA-N
XLogP2.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
CID 78933862
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid
CID 45304092
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 78947098
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
N-cyclopentyl-2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]acetamide
CID 63366475
2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 19165047
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63366534
2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide
CID 61486605
2-(2,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391088
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914299

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide (CID 63365039) is 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide is Cc1ccc(OCC(=O)NCC(C)C)c([C@@H](C)O)c1.
What is the InChIKey of 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is QIOUTEOUBMAQDB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)8-16-15(18)9-19-14-6-5-11(3)7-13(14)12(4)17/h5-7,10,12,17H,8-9H2,1-4H3,(H,16,18)/t12-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide?
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 265.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 63365039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).