2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide

C15H21NO4 — CID 115610415

IUPAC2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1ccc(C(C)=O)cc1C
InChIInChI=1S/C15H21NO4/c1-11-9-13(12(2)17)5-6-14(11)20-10-15(18)16-7-4-8-19-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,16,18)
InChIKeyGLJMLCHZLODNRI-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.73
Rot. Bonds8

About 2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide

2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide (PubChem CID 115610415) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide
PubChem CID115610415
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1ccc(C(C)=O)cc1C
InChIInChI=1S/C15H21NO4/c1-11-9-13(12(2)17)5-6-14(11)20-10-15(18)16-7-4-8-19-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,16,18)
InChIKeyGLJMLCHZLODNRI-UHFFFAOYSA-N
XLogP1.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.73
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-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029702
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 17413856
2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60626030
2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide
CID 4981184
2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide
CID 113231478
2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 45293171
2-(4-bromo-2-cyanophenoxy)-N-(3-methoxypropyl)acetamide
CID 80601774
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
4-(4-acetyl-2-methylphenoxy)-N-methylbutanamide
CID 113386950
4-[2-(2-methoxyethylamino)-2-oxoethoxy]-3-methylbenzenesulfonyl chloride
CID 82917868
N-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 2072497

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide (CID 115610415) is 2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)COc1ccc(C(C)=O)cc1C.
What is the InChIKey of 2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide?
The InChIKey is GLJMLCHZLODNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-9-13(12(2)17)5-6-14(11)20-10-15(18)16-7-4-8-19-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide?
2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 115610415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).