2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide

C14H19NO4 — CID 60626030

IUPAC2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1ccccc1C(C)=O
InChIInChI=1S/C14H19NO4/c1-11(16)12-6-3-4-7-13(12)19-10-14(17)15-8-5-9-18-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,15,17)
InChIKeyYDYAGEZOHKOWAH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.42
Rot. Bonds8

About 2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide

2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide (PubChem CID 60626030) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide
PubChem CID60626030
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1ccccc1C(C)=O
InChIInChI=1S/C14H19NO4/c1-11(16)12-6-3-4-7-13(12)19-10-14(17)15-8-5-9-18-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,15,17)
InChIKeyYDYAGEZOHKOWAH-UHFFFAOYSA-N
XLogP1.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.42
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-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 43156183
2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide
CID 24701029
2-(2,3-dimethoxyphenoxy)-N-(3-methoxypropyl)acetamide
CID 112978341
3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380362
2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide
CID 115610415
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 60701029
2-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 47101310
N-(3-methoxypropyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825892
2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 45293171
2-[2-(3-methoxypropylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 60910671
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 107698563
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide
CID 77003568

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide (CID 60626030) is 2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)COc1ccccc1C(C)=O.
What is the InChIKey of 2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide?
The InChIKey is YDYAGEZOHKOWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-11(16)12-6-3-4-7-13(12)19-10-14(17)15-8-5-9-18-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide?
2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 60626030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).