2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide

C12H17NO2 — CID 121016369

IUPAC2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide
SMILESCOc1cccc(CC(=O)N(C)C)c1C
InChIInChI=1S/C12H17NO2/c1-9-10(8-12(14)13(2)3)6-5-7-11(9)15-4/h5-7H,8H2,1-4H3
InChIKeyFJKHYFQBFXJWTO-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.63
Rot. Bonds3

About 2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide

2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide (PubChem CID 121016369) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide
PubChem CID121016369
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide
SMILESCOc1cccc(CC(=O)N(C)C)c1C
InChIInChI=1S/C12H17NO2/c1-9-10(8-12(14)13(2)3)6-5-7-11(9)15-4/h5-7H,8H2,1-4H3
InChIKeyFJKHYFQBFXJWTO-UHFFFAOYSA-N
XLogP1.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxy-2-methylphenyl)acetamide
CID 141044512
ethyl 3-(3-methoxy-2-methylphenyl)propanoate
CID 68850412
1-[(3-methoxy-2-methylphenyl)methyl]-1-methylhydrazine
CID 119090080
1-(4-fluorophenyl)-5-(3-methoxy-2-methylphenyl)pentane-1,3,4-trione
CID 160976408
2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride
CID 166541260
4-(3-methoxy-2-methylphenyl)butanoic acid
CID 18626500
2-(3-methoxy-2-methylphenyl)acetaldehyde
CID 144630578
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 43471479
2-[2-methoxy-3-(methylamino)phenyl]-N,N-dimethylacetamide
CID 166541108
4-[(3-methoxy-2-methylphenyl)methyl-methylamino]phenol
CID 168969761
2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
CID 78792072

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide (CID 121016369) is 2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide is COc1cccc(CC(=O)N(C)C)c1C.
What is the InChIKey of 2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide?
The InChIKey is FJKHYFQBFXJWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-10(8-12(14)13(2)3)6-5-7-11(9)15-4/h5-7H,8H2,1-4H3.
What are the key properties of 2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide?
2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide has a molecular weight of 207.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide is sourced from PubChem (CID 121016369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).