N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide

C13H17NO3 — CID 94262490

IUPACN-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
SMILESCOc1ccc(C(=O)CNC(=O)C(C)C)cc1
InChIInChI=1S/C13H17NO3/c1-9(2)13(16)14-8-12(15)10-4-6-11(17-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyJOZCSGVLZJSBFS-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.65
Rot. Bonds5

About N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide

N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide (PubChem CID 94262490) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
PubChem CID94262490
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
SMILESCOc1ccc(C(=O)CNC(=O)C(C)C)cc1
InChIInChI=1S/C13H17NO3/c1-9(2)13(16)14-8-12(15)10-4-6-11(17-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyJOZCSGVLZJSBFS-UHFFFAOYSA-N
XLogP1.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide 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

1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
CID 94258475
N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 94261270
2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide
CID 108798758
2,2,3,3,3-pentafluoro-N-[2-(4-methoxyphenyl)-2-oxoethyl]propanamide
CID 584711
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide
CID 84591726
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone
CID 82104513
N-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide
CID 58597503
4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione
CID 2782518
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-methylpropanamide
CID 27877650
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412
3-O-[2-(4-methoxyphenyl)-2-oxoethyl] 1-O-methyl 2-methylpropanedioate
CID 175383206
1-(4-methoxyphenyl)-8-methylnonane-1,7-dione
CID 70230200

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide (CID 94262490) is N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide is COc1ccc(C(=O)CNC(=O)C(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide?
The InChIKey is JOZCSGVLZJSBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(2)13(16)14-8-12(15)10-4-6-11(17-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide?
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide has a molecular weight of 235.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 94262490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).