3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one

C19H30N2O — CID 109032623

IUPAC3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCc1cccc(C)c1NCCC(=O)N1CCCCC1CC
InChIInChI=1S/C19H30N2O/c1-4-16-10-8-9-15(3)19(16)20-13-12-18(22)21-14-7-6-11-17(21)5-2/h8-10,17,20H,4-7,11-14H2,1-3H3
InChIKeyVKFVOCAVSFROAU-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.15
Rot. Bonds6

About 3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one

3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one (PubChem CID 109032623) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
PubChem CID109032623
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCc1cccc(C)c1NCCC(=O)N1CCCCC1CC
InChIInChI=1S/C19H30N2O/c1-4-16-10-8-9-15(3)19(16)20-13-12-18(22)21-14-7-6-11-17(21)5-2/h8-10,17,20H,4-7,11-14H2,1-3H3
InChIKeyVKFVOCAVSFROAU-UHFFFAOYSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone
CID 110671107
3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 109032650
1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one
CID 109022144
N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108512179
3-[4-(diethylamino)-2-methylanilino]-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 109032703
N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113124884
N-(2-ethyl-6-methylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107432
1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one
CID 109019962
1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
CID 112977253
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 60843505
1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030915

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one (CID 109032623) is 3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one is CCc1cccc(C)c1NCCC(=O)N1CCCCC1CC.
What is the InChIKey of 3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one?
The InChIKey is VKFVOCAVSFROAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-4-16-10-8-9-15(3)19(16)20-13-12-18(22)21-14-7-6-11-17(21)5-2/h8-10,17,20H,4-7,11-14H2,1-3H3.
What are the key properties of 3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one?
3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one has a molecular weight of 302.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 109032623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).