4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide

C14H19NO3 — CID 63891424

IUPAC4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(C)cc1C(C)=O
InChIInChI=1S/C14H19NO3/c1-10-6-7-13(12(9-10)11(2)16)18-8-4-5-14(17)15-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyRWTZBOONLYKEDR-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.10
Rot. Bonds6

About 4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide

4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide (PubChem CID 63891424) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide.

Molecular Properties

Compound Name4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide
PubChem CID63891424
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(C)cc1C(C)=O
InChIInChI=1S/C14H19NO3/c1-10-6-7-13(12(9-10)11(2)16)18-8-4-5-14(17)15-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyRWTZBOONLYKEDR-UHFFFAOYSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-acetylphenoxy)-N-methylbutanamide
CID 63890995
4-methyl-2-[4-(methylamino)-4-oxobutoxy]benzoic acid
CID 63892228
1-[2-(4-bromobutoxy)-5-methylphenyl]ethanone
CID 43504846
4-(4-acetyl-2-methylphenoxy)-N-methylbutanamide
CID 113386950
4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide
CID 63891646
4-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-methylbutanamide
CID 78953868
1-(2-but-3-ynoxy-5-methylphenyl)ethanone
CID 43504869
2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide
CID 43388654
2-(2,4-dimethylphenoxy)-N-methylbutanamide;4-(2,4-dimethylphenoxy)-N-methylbutanamide
CID 91570246
1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone
CID 65210652
2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide
CID 60627416
N-methyl-5-(4-methylphenoxy)pentanamide
CID 134582282

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide?
The IUPAC name of 4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide (CID 63891424) is 4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide.
What is the SMILES notation for 4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide?
The canonical SMILES for 4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide is CNC(=O)CCCOc1ccc(C)cc1C(C)=O.
What is the InChIKey of 4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide?
The InChIKey is RWTZBOONLYKEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-6-7-13(12(9-10)11(2)16)18-8-4-5-14(17)15-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,17).
What are the key properties of 4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide?
4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide has a molecular weight of 249.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide is sourced from PubChem (CID 63891424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).