2-(4-butanoylphenyl)-N-methoxy-N,2-dimethylpropanamide

C16H23NO3 — CID 144748343

IUPAC2-(4-butanoylphenyl)-N-methoxy-N,2-dimethylpropanamide
SMILESCCCC(=O)c1ccc(C(C)(C)C(=O)N(C)OC)cc1
InChIInChI=1S/C16H23NO3/c1-6-7-14(18)12-8-10-13(11-9-12)16(2,3)15(19)17(4)20-5/h8-11H,6-7H2,1-5H3
InChIKeyOJFMWIYLHOUVAG-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.97
Rot. Bonds6

About 2-(4-butanoylphenyl)-N-methoxy-N,2-dimethylpropanamide

2-(4-butanoylphenyl)-N-methoxy-N,2-dimethylpropanamide (PubChem CID 144748343) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(4-butanoylphenyl)-N-methoxy-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-butanoylphenyl)-N-methoxy-N,2-dimethylpropanamide
PubChem CID144748343
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(4-butanoylphenyl)-N-methoxy-N,2-dimethylpropanamide
SMILESCCCC(=O)c1ccc(C(C)(C)C(=O)N(C)OC)cc1
InChIInChI=1S/C16H23NO3/c1-6-7-14(18)12-8-10-13(11-9-12)16(2,3)15(19)17(4)20-5/h8-11H,6-7H2,1-5H3
InChIKeyOJFMWIYLHOUVAG-UHFFFAOYSA-N
XLogP2.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-butanoylphenyl)-N-methoxy-N,2-dimethylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-butanoylphenyl)-N-methoxy-N,2-dimethylpropanamide?
The IUPAC name of 2-(4-butanoylphenyl)-N-methoxy-N,2-dimethylpropanamide (CID 144748343) is 2-(4-butanoylphenyl)-N-methoxy-N,2-dimethylpropanamide.
What is the SMILES notation for 2-(4-butanoylphenyl)-N-methoxy-N,2-dimethylpropanamide?
The canonical SMILES for 2-(4-butanoylphenyl)-N-methoxy-N,2-dimethylpropanamide is CCCC(=O)c1ccc(C(C)(C)C(=O)N(C)OC)cc1.
What is the InChIKey of 2-(4-butanoylphenyl)-N-methoxy-N,2-dimethylpropanamide?
The InChIKey is OJFMWIYLHOUVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-6-7-14(18)12-8-10-13(11-9-12)16(2,3)15(19)17(4)20-5/h8-11H,6-7H2,1-5H3.
What are the key properties of 2-(4-butanoylphenyl)-N-methoxy-N,2-dimethylpropanamide?
2-(4-butanoylphenyl)-N-methoxy-N,2-dimethylpropanamide has a molecular weight of 277.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butanoylphenyl)-N-methoxy-N,2-dimethylpropanamide is sourced from PubChem (CID 144748343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).