2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide

C16H23NO4 — CID 78789004

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C16H23NO4/c1-4-21-9-5-8-17-16(19)11-14-10-13(12(2)18)6-7-15(14)20-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,17,19)
InChIKeyZXLKGPKEFZSFQJ-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.98
Rot. Bonds9

About 2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide

2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide (PubChem CID 78789004) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide
PubChem CID78789004
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C16H23NO4/c1-4-21-9-5-8-17-16(19)11-14-10-13(12(2)18)6-7-15(14)20-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,17,19)
InChIKeyZXLKGPKEFZSFQJ-UHFFFAOYSA-N
XLogP1.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide
CID 78791662
2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide
CID 119404836
2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429487
2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 46536768
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
CID 99610658
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534636
1-[3-(butoxymethyl)-4-methoxyphenyl]ethanone
CID 43789546
2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-(5-acetyl-2-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 31146981
2-[(S)-(5-acetyl-2-methoxyphenyl)methylsulfinyl]-N-pentylacetamide
CID 97098338
2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide
CID 115610415

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide (CID 78789004) is 2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)Cc1cc(C(C)=O)ccc1OC.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide?
The InChIKey is ZXLKGPKEFZSFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-21-9-5-8-17-16(19)11-14-10-13(12(2)18)6-7-15(14)20-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,17,19).
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide?
2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide has a molecular weight of 293.36 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 78789004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).