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

C14H19NO3 — CID 113386950

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

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

4-(4-acetyl-2-methylphenoxy)-N-methylbutanamide (PubChem CID 113386950) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(4-acetyl-2-methylphenoxy)-N-methylbutanamide.

Molecular Properties

Compound Name4-(4-acetyl-2-methylphenoxy)-N-methylbutanamide
PubChem CID113386950
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-(4-acetyl-2-methylphenoxy)-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(C(C)=O)cc1C
InChIInChI=1S/C14H19NO3/c1-10-9-12(11(2)16)6-7-13(10)18-8-4-5-14(17)15-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyCZGDYLOBBBDIEQ-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'}

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Related Compounds

4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide
CID 63891424
1-[4-(3-ethenoxypropoxy)-3-methylphenyl]ethanone;methane
CID 158045693
1-[3-methyl-4-(3-methylbutoxy)phenyl]ethanone
CID 91636342
1-[3-methyl-4-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]phenyl]ethanone
CID 91053789
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]butanamide
CID 6023846
2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide
CID 115610415
4-(2-acetylphenoxy)-N-methylbutanamide
CID 63890995
2-(2,4-dimethylphenoxy)-N-methylbutanamide;4-(2,4-dimethylphenoxy)-N-methylbutanamide
CID 91570246
4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide
CID 94262532
4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide
CID 55738606
2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N,4-dimethylpentanamide
CID 55750497
4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide
CID 63891646

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-methylphenoxy)-N-methylbutanamide?
The IUPAC name of 4-(4-acetyl-2-methylphenoxy)-N-methylbutanamide (CID 113386950) is 4-(4-acetyl-2-methylphenoxy)-N-methylbutanamide.
What is the SMILES notation for 4-(4-acetyl-2-methylphenoxy)-N-methylbutanamide?
The canonical SMILES for 4-(4-acetyl-2-methylphenoxy)-N-methylbutanamide is CNC(=O)CCCOc1ccc(C(C)=O)cc1C.
What is the InChIKey of 4-(4-acetyl-2-methylphenoxy)-N-methylbutanamide?
The InChIKey is CZGDYLOBBBDIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-9-12(11(2)16)6-7-13(10)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-(4-acetyl-2-methylphenoxy)-N-methylbutanamide?
4-(4-acetyl-2-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-(4-acetyl-2-methylphenoxy)-N-methylbutanamide is sourced from PubChem (CID 113386950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).