2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone

C15H21NO2 — CID 104749876

IUPAC2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone
SMILESCCN(CC(=O)C1CCOC1)c1ccccc1C
InChIInChI=1S/C15H21NO2/c1-3-16(14-7-5-4-6-12(14)2)10-15(17)13-8-9-18-11-13/h4-7,13H,3,8-11H2,1-2H3
InChIKeyNRHSLIXVFHITNF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.43
Rot. Bonds5

About 2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone

2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone (PubChem CID 104749876) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone
PubChem CID104749876
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone
SMILESCCN(CC(=O)C1CCOC1)c1ccccc1C
InChIInChI=1S/C15H21NO2/c1-3-16(14-7-5-4-6-12(14)2)10-15(17)13-8-9-18-11-13/h4-7,13H,3,8-11H2,1-2H3
InChIKeyNRHSLIXVFHITNF-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone 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-(N-ethyl-3-methylanilino)-1-(oxolan-3-yl)ethanone
CID 113448721
2-(2-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanone
CID 104756299
2-[(2-methylphenyl)methylsulfinyl]-1-(oxolan-3-yl)ethanone
CID 104756209
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone
CID 113448768
2-(dipropylamino)-1-(oxolan-3-yl)ethanone
CID 104749952
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801
2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone
CID 63564355
2-[4-[2-(N-ethyl-2-methylanilino)acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78821861
2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone
CID 104750414
2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone
CID 107659488
2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone
CID 71047340
2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid
CID 63907183

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone (CID 104749876) is 2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone is CCN(CC(=O)C1CCOC1)c1ccccc1C.
What is the InChIKey of 2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone?
The InChIKey is NRHSLIXVFHITNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-16(14-7-5-4-6-12(14)2)10-15(17)13-8-9-18-11-13/h4-7,13H,3,8-11H2,1-2H3.
What are the key properties of 2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone?
2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104749876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).