2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide

C15H21NO3 — CID 51141697

IUPAC2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C15H21NO3/c1-10(2)11(3)16-15(18)9-19-14-7-5-6-13(8-14)12(4)17/h5-8,10-11H,9H2,1-4H3,(H,16,18)
InChIKeyVJLGTUXJLAKPGV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.43
Rot. Bonds6

About 2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide

2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 51141697) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide
PubChem CID51141697
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C15H21NO3/c1-10(2)11(3)16-15(18)9-19-14-7-5-6-13(8-14)12(4)17/h5-8,10-11H,9H2,1-4H3,(H,16,18)
InChIKeyVJLGTUXJLAKPGV-UHFFFAOYSA-N
XLogP2.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43214257
2-(3-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60626470
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365748
2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 18170275
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate
CID 46806226
N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide
CID 7865052
N-[(2R)-3-methylbutan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 26218455
2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide
CID 78855114
2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120828020
2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489519
2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41188622
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide (CID 51141697) is 2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide is CC(=O)c1cccc(OCC(=O)NC(C)C(C)C)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is VJLGTUXJLAKPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)11(3)16-15(18)9-19-14-7-5-6-13(8-14)12(4)17/h5-8,10-11H,9H2,1-4H3,(H,16,18).
What are the key properties of 2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 51141697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).