2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C17H23NO3 — CID 78803448

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C17H23NO3/c1-6-18(11-12(2)3)17(20)10-15-9-14(13(4)19)7-8-16(15)21-5/h7-9H,2,6,10-11H2,1,3-5H3
InChIKeyXZOQFZFXHRVAJI-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.86
Rot. Bonds7

About 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 78803448) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID78803448
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C17H23NO3/c1-6-18(11-12(2)3)17(20)10-15-9-14(13(4)19)7-8-16(15)21-5/h7-9H,2,6,10-11H2,1,3-5H3
InChIKeyXZOQFZFXHRVAJI-UHFFFAOYSA-N
XLogP2.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.86
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-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 78788548
2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
CID 78792072
2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 18115704
2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide
CID 134006092
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923869
5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide
CID 42403444
2-(5-acetyl-2-methoxyphenyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 31152699
2-(5-acetyl-2-methoxyphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 30867500
1-[3-(ethylsulfanylmethyl)-4-methoxyphenyl]ethanone
CID 43789568
(5-acetyl-2-methoxyphenyl)methyl-diethylazanium
CID 6943942

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 78803448) is 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)Cc1cc(C(C)=O)ccc1OC.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is XZOQFZFXHRVAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-6-18(11-12(2)3)17(20)10-15-9-14(13(4)19)7-8-16(15)21-5/h7-9H,2,6,10-11H2,1,3-5H3.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 78803448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).