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

C15H21NO2 — CID 113448721

IUPAC2-(N-ethyl-3-methylanilino)-1-(oxolan-3-yl)ethanone
SMILESCCN(CC(=O)C1CCOC1)c1cccc(C)c1
InChIInChI=1S/C15H21NO2/c1-3-16(14-6-4-5-12(2)9-14)10-15(17)13-7-8-18-11-13/h4-6,9,13H,3,7-8,10-11H2,1-2H3
InChIKeyYRGSDTHTQCHSJT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.43
Rot. Bonds5

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

2-(N-ethyl-3-methylanilino)-1-(oxolan-3-yl)ethanone (PubChem CID 113448721) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)-1-(oxolan-3-yl)ethanone
PubChem CID113448721
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(N-ethyl-3-methylanilino)-1-(oxolan-3-yl)ethanone
SMILESCCN(CC(=O)C1CCOC1)c1cccc(C)c1
InChIInChI=1S/C15H21NO2/c1-3-16(14-6-4-5-12(2)9-14)10-15(17)13-7-8-18-11-13/h4-6,9,13H,3,7-8,10-11H2,1-2H3
InChIKeyYRGSDTHTQCHSJT-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

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Related Compounds

1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone
CID 104750103
2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone
CID 104749876
1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone
CID 104750265
2-(3-methylphenyl)sulfanyl-1-(oxolan-3-yl)ethanone
CID 66087155
N-cycloheptyl-2-(N-ethyl-3-methylanilino)acetamide
CID 109005664
1-(N-ethyl-3-methylanilino)pentan-2-one
CID 62044649
3-[methyl-[2-oxo-2-(oxolan-3-yl)ethyl]amino]benzonitrile
CID 104750694
2-[(3-methylphenyl)methylsulfinyl]-1-(oxolan-3-yl)ethanone
CID 104756207
1-cyclopentyl-2-(N,3-dimethylanilino)ethanone
CID 104750297
2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid
CID 63911523
1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one
CID 107507164
2-(N-ethyl-3-methylanilino)-N,N-dipropylacetamide
CID 109006691

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(N-ethyl-3-methylanilino)-1-(oxolan-3-yl)ethanone (CID 113448721) is 2-(N-ethyl-3-methylanilino)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)-1-(oxolan-3-yl)ethanone is CCN(CC(=O)C1CCOC1)c1cccc(C)c1.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)-1-(oxolan-3-yl)ethanone?
The InChIKey is YRGSDTHTQCHSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-16(14-6-4-5-12(2)9-14)10-15(17)13-7-8-18-11-13/h4-6,9,13H,3,7-8,10-11H2,1-2H3.
What are the key properties of 2-(N-ethyl-3-methylanilino)-1-(oxolan-3-yl)ethanone?
2-(N-ethyl-3-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-3-methylanilino)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 113448721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).