4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one

C14H21NO2 — CID 115235463

IUPAC4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one
SMILESCOc1c(C)c(C)cc(C)c1NCCC(C)=O
InChIInChI=1S/C14H21NO2/c1-9-8-10(2)13(14(17-5)12(9)4)15-7-6-11(3)16/h8,15H,6-7H2,1-5H3
InChIKeySNWKTRXWERPADQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.01
Rot. Bonds5

About 4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one

4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one (PubChem CID 115235463) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one.

Molecular Properties

Compound Name4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one
PubChem CID115235463
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one
SMILESCOc1c(C)c(C)cc(C)c1NCCC(C)=O
InChIInChI=1S/C14H21NO2/c1-9-8-10(2)13(14(17-5)12(9)4)15-7-6-11(3)16/h8,15H,6-7H2,1-5H3
InChIKeySNWKTRXWERPADQ-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide
CID 115176749
methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate
CID 115190424
N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide
CID 115176347
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-2-one
CID 115235985
4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide
CID 115155164
5-(5-bromo-2-methoxy-3,4,6-trimethylanilino)pentan-2-one
CID 115236291
methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate
CID 115232845
2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid
CID 115171197
3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid
CID 116962917
N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide
CID 115153253
methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate
CID 116963118
1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
CID 116915325

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one?
The IUPAC name of 4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one (CID 115235463) is 4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one.
What is the SMILES notation for 4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one?
The canonical SMILES for 4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one is COc1c(C)c(C)cc(C)c1NCCC(C)=O.
What is the InChIKey of 4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one?
The InChIKey is SNWKTRXWERPADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-8-10(2)13(14(17-5)12(9)4)15-7-6-11(3)16/h8,15H,6-7H2,1-5H3.
What are the key properties of 4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one?
4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one has a molecular weight of 235.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one is sourced from PubChem (CID 115235463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).