2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide

C16H23NO4 — CID 103954073

IUPAC2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
SMILESCc1ccc(C)c(OCC(=O)NC2(CO)CCOCC2)c1
InChIInChI=1S/C16H23NO4/c1-12-3-4-13(2)14(9-12)21-10-15(19)17-16(11-18)5-7-20-8-6-16/h3-4,9,18H,5-8,10-11H2,1-2H3,(H,17,19)
InChIKeyNIHAPWDFJUUAIK-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.34
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide

2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide (PubChem CID 103954073) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
PubChem CID103954073
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
SMILESCc1ccc(C)c(OCC(=O)NC2(CO)CCOCC2)c1
InChIInChI=1S/C16H23NO4/c1-12-3-4-13(2)14(9-12)21-10-15(19)17-16(11-18)5-7-20-8-6-16/h3-4,9,18H,5-8,10-11H2,1-2H3,(H,17,19)
InChIKeyNIHAPWDFJUUAIK-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954074
N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide
CID 104630643
2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954312
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide
CID 106296683
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
4-[[2-(2,5-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66223571
2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031567
N-[1-(hydroxymethyl)cyclobutyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 115878097
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide (CID 103954073) is 2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide is Cc1ccc(C)c(OCC(=O)NC2(CO)CCOCC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
The InChIKey is NIHAPWDFJUUAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12-3-4-13(2)14(9-12)21-10-15(19)17-16(11-18)5-7-20-8-6-16/h3-4,9,18H,5-8,10-11H2,1-2H3,(H,17,19).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide?
2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide has a molecular weight of 293.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide is sourced from PubChem (CID 103954073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).