2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide

C16H23NO3 — CID 78785120

IUPAC2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide
SMILESCCCCN(CC)C(=O)COc1cccc(C(C)=O)c1
InChIInChI=1S/C16H23NO3/c1-4-6-10-17(5-2)16(19)12-20-15-9-7-8-14(11-15)13(3)18/h7-9,11H,4-6,10,12H2,1-3H3
InChIKeyXGOJJIBKBLOWHG-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.92
Rot. Bonds8

About 2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide

2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide (PubChem CID 78785120) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide
PubChem CID78785120
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide
SMILESCCCCN(CC)C(=O)COc1cccc(C(C)=O)c1
InChIInChI=1S/C16H23NO3/c1-4-6-10-17(5-2)16(19)12-20-15-9-7-8-14(11-15)13(3)18/h7-9,11H,4-6,10,12H2,1-3H3
InChIKeyXGOJJIBKBLOWHG-UHFFFAOYSA-N
XLogP2.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide
CID 78765430
N-butyl-2-(3,4-difluorophenoxy)-N-ethylacetamide
CID 78814916
N,N-dibutyl-2-phenoxyacetamide
CID 4074500
1-(3-henicosoxyphenyl)ethanone
CID 23127401
2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide
CID 71326234
2-(3-acetamidophenoxy)-N,N-diethylacetamide
CID 7698145
2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide
CID 120884790
N-(2-aminoethyl)-N-ethyl-2-(3-methoxyphenoxy)acetamide
CID 82354386
N-ethyl-2-(3-ethylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 60653414
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid
CID 120691893
N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide
CID 83969246

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide (CID 78785120) is 2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide is CCCCN(CC)C(=O)COc1cccc(C(C)=O)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide?
The InChIKey is XGOJJIBKBLOWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-6-10-17(5-2)16(19)12-20-15-9-7-8-14(11-15)13(3)18/h7-9,11H,4-6,10,12H2,1-3H3.
What are the key properties of 2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide?
2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide has a molecular weight of 277.36 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide is sourced from PubChem (CID 78785120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).