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

C15H21NO5 — CID 104630643

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC2(CO)CCOCC2)cc1
InChIInChI=1S/C15H21NO5/c1-19-12-2-4-13(5-3-12)21-10-14(18)16-15(11-17)6-8-20-9-7-15/h2-5,17H,6-11H2,1H3,(H,16,18)
InChIKeyNVKQAACISFNCRR-UHFFFAOYSA-N
MW295.33 g/mol
LogP0.73
Rot. Bonds6

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

N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 104630643) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide
PubChem CID104630643
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC2(CO)CCOCC2)cc1
InChIInChI=1S/C15H21NO5/c1-19-12-2-4-13(5-3-12)21-10-14(18)16-15(11-17)6-8-20-9-7-15/h2-5,17H,6-11H2,1H3,(H,16,18)
InChIKeyNVKQAACISFNCRR-UHFFFAOYSA-N
XLogP0.73
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954312
1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158031
2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690
N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide
CID 113337518
1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538622
2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954073
N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide
CID 115878186
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503
2-(2-fluorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954074
N-[1-(4-methoxyphenyl)cyclopropyl]-2-phenoxyacetamide
CID 113091147
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
N-[4-(bromomethyl)oxan-4-yl]-3-(4-methoxyphenyl)propanamide
CID 106304776

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide (CID 104630643) is N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NC2(CO)CCOCC2)cc1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is NVKQAACISFNCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-19-12-2-4-13(5-3-12)21-10-14(18)16-15(11-17)6-8-20-9-7-15/h2-5,17H,6-11H2,1H3,(H,16,18).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide?
N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 295.33 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 104630643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).