4-(2,6-diethyl-N-methylanilino)butan-2-one

C15H23NO — CID 117029527

IUPAC4-(2,6-diethyl-N-methylanilino)butan-2-one
SMILESCCc1cccc(CC)c1N(C)CCC(C)=O
InChIInChI=1S/C15H23NO/c1-5-13-8-7-9-14(6-2)15(13)16(4)11-10-12(3)17/h7-9H,5-6,10-11H2,1-4H3
InChIKeyDXAXODAZRRCRDQ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.23
Rot. Bonds6

About 4-(2,6-diethyl-N-methylanilino)butan-2-one

4-(2,6-diethyl-N-methylanilino)butan-2-one (PubChem CID 117029527) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-(2,6-diethyl-N-methylanilino)butan-2-one.

Molecular Properties

Compound Name4-(2,6-diethyl-N-methylanilino)butan-2-one
PubChem CID117029527
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-(2,6-diethyl-N-methylanilino)butan-2-one
SMILESCCc1cccc(CC)c1N(C)CCC(C)=O
InChIInChI=1S/C15H23NO/c1-5-13-8-7-9-14(6-2)15(13)16(4)11-10-12(3)17/h7-9H,5-6,10-11H2,1-4H3
InChIKeyDXAXODAZRRCRDQ-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-diethyl-N-methylanilino)propan-1-ol
CID 117029253
4-(3-acetyl-N-methylanilino)butan-2-one
CID 117029542
N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine
CID 28772632
3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide
CID 113126191
4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one
CID 115235550
N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318
3-amino-N-(2,6-diethylphenyl)-N-ethylpropanamide
CID 28795326
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-ethylbutanamide
CID 113058866
3-amino-N-(2-ethyl-6-methylphenyl)-N-methylpropanamide
CID 28795015
1-(2,6-diethylphenyl)ethanone
CID 14939611
N'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine
CID 112514390
3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide
CID 113126202

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diethyl-N-methylanilino)butan-2-one?
The IUPAC name of 4-(2,6-diethyl-N-methylanilino)butan-2-one (CID 117029527) is 4-(2,6-diethyl-N-methylanilino)butan-2-one.
What is the SMILES notation for 4-(2,6-diethyl-N-methylanilino)butan-2-one?
The canonical SMILES for 4-(2,6-diethyl-N-methylanilino)butan-2-one is CCc1cccc(CC)c1N(C)CCC(C)=O.
What is the InChIKey of 4-(2,6-diethyl-N-methylanilino)butan-2-one?
The InChIKey is DXAXODAZRRCRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-13-8-7-9-14(6-2)15(13)16(4)11-10-12(3)17/h7-9H,5-6,10-11H2,1-4H3.
What are the key properties of 4-(2,6-diethyl-N-methylanilino)butan-2-one?
4-(2,6-diethyl-N-methylanilino)butan-2-one has a molecular weight of 233.35 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diethyl-N-methylanilino)butan-2-one is sourced from PubChem (CID 117029527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).