N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide

C13H19NO2 — CID 115191161

IUPACN-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(C)=O)c(C)c1C
InChIInChI=1S/C13H19NO2/c1-9-10(2)13(16-5)7-6-12(9)8-14(4)11(3)15/h6-7H,8H2,1-5H3
InChIKeyMUPIPYWAIPAKKZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.29
Rot. Bonds3

About N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide

N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide (PubChem CID 115191161) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide
PubChem CID115191161
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(C)=O)c(C)c1C
InChIInChI=1S/C13H19NO2/c1-9-10(2)13(16-5)7-6-12(9)8-14(4)11(3)15/h6-7H,8H2,1-5H3
InChIKeyMUPIPYWAIPAKKZ-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]butan-2-one
CID 115235817
2-amino-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,2-dimethylpropanamide
CID 115152731
N-[[5-[[acetyl(methyl)amino]methyl]-2,4-dimethoxyphenyl]methyl]-N-methylacetamide
CID 50941876
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 115191205
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194800
4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one
CID 115236061
(4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide
CID 117043360
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 71002758
N-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide
CID 110769670
3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propanenitrile
CID 115230987
2-[(4-methoxy-2,3-dimethylphenyl)methyl]propanedioic acid
CID 170895399
methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate
CID 115190697

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide?
The IUPAC name of N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide (CID 115191161) is N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(C)=O)c(C)c1C.
What is the InChIKey of N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide?
The InChIKey is MUPIPYWAIPAKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-10(2)13(16-5)7-6-12(9)8-14(4)11(3)15/h6-7H,8H2,1-5H3.
What are the key properties of N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide?
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide has a molecular weight of 221.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 115191161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).