2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide

C15H21NO4 — CID 63325624

IUPAC2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide
SMILESCc1ccc(OCC(=O)NC2CCOCC2)c(CO)c1
InChIInChI=1S/C15H21NO4/c1-11-2-3-14(12(8-11)9-17)20-10-15(18)16-13-4-6-19-7-5-13/h2-3,8,13,17H,4-7,9-10H2,1H3,(H,16,18)
InChIKeyICEMDKKZRRRCJY-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.16
Rot. Bonds5

About 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide

2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide (PubChem CID 63325624) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide
PubChem CID63325624
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide
SMILESCc1ccc(OCC(=O)NC2CCOCC2)c(CO)c1
InChIInChI=1S/C15H21NO4/c1-11-2-3-14(12(8-11)9-17)20-10-15(18)16-13-4-6-19-7-5-13/h2-3,8,13,17H,4-7,9-10H2,1H3,(H,16,18)
InChIKeyICEMDKKZRRRCJY-UHFFFAOYSA-N
XLogP1.16
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide
CID 63325684
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63366534
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63639424
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326335
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326986
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63099859
2-[4-bromo-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63098991
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopentylacetamide
CID 63326156
2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide
CID 63325796
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol
CID 54595110
2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide (CID 63325624) is 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide is Cc1ccc(OCC(=O)NC2CCOCC2)c(CO)c1.
What is the InChIKey of 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide?
The InChIKey is ICEMDKKZRRRCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-2-3-14(12(8-11)9-17)20-10-15(18)16-13-4-6-19-7-5-13/h2-3,8,13,17H,4-7,9-10H2,1H3,(H,16,18).
What are the key properties of 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide?
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63325624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).