2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C16H21NO3 — CID 112781553

IUPAC2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)COc1ccccc1C(C)=O
InChIInChI=1S/C16H21NO3/c1-5-17(10-12(2)3)16(19)11-20-15-9-7-6-8-14(15)13(4)18/h6-9H,2,5,10-11H2,1,3-4H3
InChIKeyAPAUMUOFQAEFKJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.69
Rot. Bonds7

About 2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 112781553) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID112781553
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)COc1ccccc1C(C)=O
InChIInChI=1S/C16H21NO3/c1-5-17(10-12(2)3)16(19)11-20-15-9-7-6-8-14(15)13(4)18/h6-9H,2,5,10-11H2,1,3-4H3
InChIKeyAPAUMUOFQAEFKJ-UHFFFAOYSA-N
XLogP2.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78762100
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-ethoxybenzoate
CID 55315041
N-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide
CID 34092355
2-(2-acetylphenoxy)-N,N-dipropylacetamide
CID 82312013
2-(2,6-dimethoxyphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78767254
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[2-(4-bromoanilino)-2-oxoethoxy]benzoate
CID 35950064
N-ethyl-2-(4-methylphenoxy)-N-(2-methylprop-2-enyl)acetamide
CID 78762140
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate
CID 55319893
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 55314057
3-chloro-4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzoic acid
CID 60651738
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 112781553) is 2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)COc1ccccc1C(C)=O.
What is the InChIKey of 2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is APAUMUOFQAEFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-5-17(10-12(2)3)16(19)11-20-15-9-7-6-8-14(15)13(4)18/h6-9H,2,5,10-11H2,1,3-4H3.
What are the key properties of 2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 112781553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).