N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide

C15H21NO3 — CID 115176347

IUPACN-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide
SMILESCOc1c(C)c(C)cc(C)c1N(C)C(=O)CC(C)=O
InChIInChI=1S/C15H21NO3/c1-9-7-10(2)14(15(19-6)12(9)4)16(5)13(18)8-11(3)17/h7H,8H2,1-6H3
InChIKeyPTJDCGXUPVTICE-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.56
Rot. Bonds4

About N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide

N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide (PubChem CID 115176347) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide.

Molecular Properties

Compound NameN-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide
PubChem CID115176347
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide
SMILESCOc1c(C)c(C)cc(C)c1N(C)C(=O)CC(C)=O
InChIInChI=1S/C15H21NO3/c1-9-7-10(2)14(15(19-6)12(9)4)16(5)13(18)8-11(3)17/h7H,8H2,1-6H3
InChIKeyPTJDCGXUPVTICE-UHFFFAOYSA-N
XLogP2.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate
CID 115232845
N-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide
CID 115176301
N-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide
CID 115176749
4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one
CID 115235463
N-ethyl-2-methoxy-N,3,4,6-tetramethylaniline
CID 115259374
2-(2-methoxy-N,3,4,6-tetramethylanilino)ethanol
CID 115216183
methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate
CID 115190424
N-(3,4-dimethylphenyl)-N-methyl-3-oxobutanamide
CID 115176241
N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline
CID 115260711
N-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide
CID 115176827
3-(2-methoxy-3,4,6-trimethylphenyl)-N',N'-dimethylpropanehydrazide
CID 116847658
2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844882

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide?
The IUPAC name of N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide (CID 115176347) is N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide.
What is the SMILES notation for N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide?
The canonical SMILES for N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide is COc1c(C)c(C)cc(C)c1N(C)C(=O)CC(C)=O.
What is the InChIKey of N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide?
The InChIKey is PTJDCGXUPVTICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9-7-10(2)14(15(19-6)12(9)4)16(5)13(18)8-11(3)17/h7H,8H2,1-6H3.
What are the key properties of N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide?
N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide has a molecular weight of 263.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide is sourced from PubChem (CID 115176347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).