2-(4-acetylphenoxy)-N-[2-(oxan-2-yl)ethyl]acetamide

C17H23NO4 — CID 77089115

IUPAC2-(4-acetylphenoxy)-N-[2-(oxan-2-yl)ethyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCCC2CCCCO2)cc1
InChIInChI=1S/C17H23NO4/c1-13(19)14-5-7-16(8-6-14)22-12-17(20)18-10-9-15-4-2-3-11-21-15/h5-8,15H,2-4,9-12H2,1H3,(H,18,20)
InChIKeyBWQJYBOTUIMJFW-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.34
Rot. Bonds7

About 2-(4-acetylphenoxy)-N-[2-(oxan-2-yl)ethyl]acetamide

2-(4-acetylphenoxy)-N-[2-(oxan-2-yl)ethyl]acetamide (PubChem CID 77089115) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[2-(oxan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[2-(oxan-2-yl)ethyl]acetamide
PubChem CID77089115
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-(4-acetylphenoxy)-N-[2-(oxan-2-yl)ethyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCCC2CCCCO2)cc1
InChIInChI=1S/C17H23NO4/c1-13(19)14-5-7-16(8-6-14)22-12-17(20)18-10-9-15-4-2-3-11-21-15/h5-8,15H,2-4,9-12H2,1H3,(H,18,20)
InChIKeyBWQJYBOTUIMJFW-UHFFFAOYSA-N
XLogP2.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-[2-(oxolan-2-yl)ethyl]acetamide
CID 110731293
2-(4-cyanophenoxy)-N-[2-(oxolan-2-yl)ethyl]acetamide
CID 51076291
oxan-2-ylmethyl 2-(4-acetylphenoxy)acetate
CID 86976925
2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255944
N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
CID 113053433
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
N-[2-(oxolan-2-yl)ethyl]-3-phenoxypropanamide
CID 75871156
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
methyl 4-[3-(oxolan-2-yl)propoxy]benzoate
CID 65158529
1-(4-ethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 63952921
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide
CID 6472346

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[2-(oxan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[2-(oxan-2-yl)ethyl]acetamide (CID 77089115) is 2-(4-acetylphenoxy)-N-[2-(oxan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[2-(oxan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[2-(oxan-2-yl)ethyl]acetamide is CC(=O)c1ccc(OCC(=O)NCCC2CCCCO2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[2-(oxan-2-yl)ethyl]acetamide?
The InChIKey is BWQJYBOTUIMJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-13(19)14-5-7-16(8-6-14)22-12-17(20)18-10-9-15-4-2-3-11-21-15/h5-8,15H,2-4,9-12H2,1H3,(H,18,20).
What are the key properties of 2-(4-acetylphenoxy)-N-[2-(oxan-2-yl)ethyl]acetamide?
2-(4-acetylphenoxy)-N-[2-(oxan-2-yl)ethyl]acetamide has a molecular weight of 305.37 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[2-(oxan-2-yl)ethyl]acetamide is sourced from PubChem (CID 77089115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).