2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide

C13H17NO4 — CID 78855114

IUPAC2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)NCCCO)c1
InChIInChI=1S/C13H17NO4/c1-10(16)11-4-2-5-12(8-11)18-9-13(17)14-6-3-7-15/h2,4-5,8,15H,3,6-7,9H2,1H3,(H,14,17)
InChIKeyVCBXVNSBHJVXHU-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.77
Rot. Bonds7

About 2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide

2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide (PubChem CID 78855114) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide
PubChem CID78855114
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)NCCCO)c1
InChIInChI=1S/C13H17NO4/c1-10(16)11-4-2-5-12(8-11)18-9-13(17)14-6-3-7-15/h2,4-5,8,15H,3,6-7,9H2,1H3,(H,14,17)
InChIKeyVCBXVNSBHJVXHU-UHFFFAOYSA-N
XLogP0.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 51141697
2-(3-acetylphenoxy)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 78808116
2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 2616931
2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120828020
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 40628702
2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide
CID 25494031
2-(3-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60626470
3-[2-oxo-2-(3-propan-2-yloxypropylamino)ethoxy]benzoic acid
CID 43214917
2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537117
N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide (CID 78855114) is 2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide is CC(=O)c1cccc(OCC(=O)NCCCO)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide?
The InChIKey is VCBXVNSBHJVXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-10(16)11-4-2-5-12(8-11)18-9-13(17)14-6-3-7-15/h2,4-5,8,15H,3,6-7,9H2,1H3,(H,14,17).
What are the key properties of 2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide?
2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide has a molecular weight of 251.28 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 78855114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).