N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide

C15H21NO4 — CID 110292724

IUPACN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC1(CO)CCOCC1
InChIInChI=1S/C15H21NO4/c17-12-15(6-8-19-9-7-15)11-16-14(18)10-20-13-4-2-1-3-5-13/h1-5,17H,6-12H2,(H,16,18)
InChIKeyPTTXUAYEBXUOIX-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.97
Rot. Bonds6

About N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide

N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide (PubChem CID 110292724) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
PubChem CID110292724
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC1(CO)CCOCC1
InChIInChI=1S/C15H21NO4/c17-12-15(6-8-19-9-7-15)11-16-14(18)10-20-13-4-2-1-3-5-13/h1-5,17H,6-12H2,(H,16,18)
InChIKeyPTTXUAYEBXUOIX-UHFFFAOYSA-N
XLogP0.97
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide 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-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 47071147
2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 115701234
2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362360
2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362312
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(2-hydroxyphenoxy)acetamide
CID 115362129
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 71686917
N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 56765194
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55849523
2-(4-fluorophenoxy)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 91914822
4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541544

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide (CID 110292724) is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCC1(CO)CCOCC1.
What is the InChIKey of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide?
The InChIKey is PTTXUAYEBXUOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c17-12-15(6-8-19-9-7-15)11-16-14(18)10-20-13-4-2-1-3-5-13/h1-5,17H,6-12H2,(H,16,18).
What are the key properties of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide?
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide has a molecular weight of 279.34 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 110292724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).