4-(2-acetylphenoxy)-N-methylbutanamide

C13H17NO3 — CID 63890995

IUPAC4-(2-acetylphenoxy)-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccccc1C(C)=O
InChIInChI=1S/C13H17NO3/c1-10(15)11-6-3-4-7-12(11)17-9-5-8-13(16)14-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,14,16)
InChIKeyUPMBTOMXLUOJOY-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.79
Rot. Bonds6

About 4-(2-acetylphenoxy)-N-methylbutanamide

4-(2-acetylphenoxy)-N-methylbutanamide (PubChem CID 63890995) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(2-acetylphenoxy)-N-methylbutanamide.

Molecular Properties

Compound Name4-(2-acetylphenoxy)-N-methylbutanamide
PubChem CID63890995
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(2-acetylphenoxy)-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccccc1C(C)=O
InChIInChI=1S/C13H17NO3/c1-10(15)11-6-3-4-7-12(11)17-9-5-8-13(16)14-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,14,16)
InChIKeyUPMBTOMXLUOJOY-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.79
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-5-fluorophenoxy)-N-methylbutanamide
CID 63891646
4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide
CID 63891424
1-[2-(4-methylpentoxy)phenyl]ethanone
CID 29003187
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
3-(2-acetylphenoxy)-N,N-dimethylpropanamide
CID 54879002
1-[2-(8-aminooctoxy)phenyl]ethanone
CID 142412134
2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide
CID 112781556
3-(2-acetylphenoxy)propyl prop-2-enoate
CID 142301416
1-[2-(4,4,4-trifluorobutoxy)phenyl]ethanone
CID 115513987
4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide
CID 63890939
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088
1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone
CID 2284019

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetylphenoxy)-N-methylbutanamide?
The IUPAC name of 4-(2-acetylphenoxy)-N-methylbutanamide (CID 63890995) is 4-(2-acetylphenoxy)-N-methylbutanamide.
What is the SMILES notation for 4-(2-acetylphenoxy)-N-methylbutanamide?
The canonical SMILES for 4-(2-acetylphenoxy)-N-methylbutanamide is CNC(=O)CCCOc1ccccc1C(C)=O.
What is the InChIKey of 4-(2-acetylphenoxy)-N-methylbutanamide?
The InChIKey is UPMBTOMXLUOJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(15)11-6-3-4-7-12(11)17-9-5-8-13(16)14-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,14,16).
What are the key properties of 4-(2-acetylphenoxy)-N-methylbutanamide?
4-(2-acetylphenoxy)-N-methylbutanamide has a molecular weight of 235.28 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetylphenoxy)-N-methylbutanamide is sourced from PubChem (CID 63890995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).