3-methyl-4-(N-methylanilino)butan-2-one

C12H17NO — CID 174632669

IUPAC3-methyl-4-(N-methylanilino)butan-2-one
SMILESCC(=O)C(C)CN(C)c1ccccc1
InChIInChI=1S/C12H17NO/c1-10(11(2)14)9-13(3)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3
InChIKeyYQXBYBZAAGCMNU-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.35
Rot. Bonds4

About 3-methyl-4-(N-methylanilino)butan-2-one

3-methyl-4-(N-methylanilino)butan-2-one (PubChem CID 174632669) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-methyl-4-(N-methylanilino)butan-2-one.

Molecular Properties

Compound Name3-methyl-4-(N-methylanilino)butan-2-one
PubChem CID174632669
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-methyl-4-(N-methylanilino)butan-2-one
SMILESCC(=O)C(C)CN(C)c1ccccc1
InChIInChI=1S/C12H17NO/c1-10(11(2)14)9-13(3)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3
InChIKeyYQXBYBZAAGCMNU-UHFFFAOYSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-(N-methylanilino)butan-2-one 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

(2S)-2-methyl-3-(N-methylanilino)propanoic acid
CID 94253745
(2R)-2-methyl-3-(N-methylanilino)propanoic acid
CID 94253746
(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034
benzyl 2-methyl-3-(N-methylanilino)propanoate
CID 106484216
2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid
CID 122120299
2-methyl-3-(N-methylanilino)propanimidamide
CID 43175003
(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine
CID 22689433
(2S)-2,4-dimethylpentanoic acid;2-(methylamino)-3-(N-methylanilino)propanoic acid
CID 142141703
2-methyl-3-(N-methyl-4-methylsulfonylanilino)propanoic acid
CID 55007680
[4-methyl-5-(N-methylanilino)-3-methylidenepentyl] 4-fluorobenzoate
CID 132532198
4-(N-methylanilino)pentan-2-one
CID 64697699
1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone
CID 43272204

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(N-methylanilino)butan-2-one?
The IUPAC name of 3-methyl-4-(N-methylanilino)butan-2-one (CID 174632669) is 3-methyl-4-(N-methylanilino)butan-2-one.
What is the SMILES notation for 3-methyl-4-(N-methylanilino)butan-2-one?
The canonical SMILES for 3-methyl-4-(N-methylanilino)butan-2-one is CC(=O)C(C)CN(C)c1ccccc1.
What is the InChIKey of 3-methyl-4-(N-methylanilino)butan-2-one?
The InChIKey is YQXBYBZAAGCMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(11(2)14)9-13(3)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3.
What are the key properties of 3-methyl-4-(N-methylanilino)butan-2-one?
3-methyl-4-(N-methylanilino)butan-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(N-methylanilino)butan-2-one is sourced from PubChem (CID 174632669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).