2-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]propanamide

C14H19NO2 — CID 115175921

IUPAC2-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCC(=O)C(=O)NCCc1cc(C)c(C)cc1C
InChIInChI=1S/C14H19NO2/c1-9-7-11(3)13(8-10(9)2)5-6-15-14(17)12(4)16/h7-8H,5-6H2,1-4H3,(H,15,17)
InChIKeyZYQFKSTXCYKDHG-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.86
Rot. Bonds4

About 2-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]propanamide

2-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]propanamide (PubChem CID 115175921) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]propanamide
PubChem CID115175921
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCC(=O)C(=O)NCCc1cc(C)c(C)cc1C
InChIInChI=1S/C14H19NO2/c1-9-7-11(3)13(8-10(9)2)5-6-15-14(17)12(4)16/h7-8H,5-6H2,1-4H3,(H,15,17)
InChIKeyZYQFKSTXCYKDHG-UHFFFAOYSA-N
XLogP1.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]propanamide 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

2-sulfanyl-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 115167394
2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 115173278
1-(hydroxymethyl)-N-[2-(2,4,5-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182400
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide
CID 115175869
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167371
N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]acetamide
CID 115191234
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106
6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide
CID 110795749
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide
CID 110788062
2-amino-3-[2-(2,4,5-trimethylphenyl)ethylamino]propanoic acid
CID 115240850
N-(bromomethyl)-2-(2,4,5-trimethylphenyl)ethanamine
CID 115262236

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]propanamide?
The IUPAC name of 2-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]propanamide (CID 115175921) is 2-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]propanamide?
The canonical SMILES for 2-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]propanamide is CC(=O)C(=O)NCCc1cc(C)c(C)cc1C.
What is the InChIKey of 2-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]propanamide?
The InChIKey is ZYQFKSTXCYKDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-7-11(3)13(8-10(9)2)5-6-15-14(17)12(4)16/h7-8H,5-6H2,1-4H3,(H,15,17).
What are the key properties of 2-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]propanamide?
2-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]propanamide has a molecular weight of 233.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 115175921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).