2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide

C12H17NO2 — CID 60701058

IUPAC2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
SMILESCOc1cc(CC(=O)N(C)C)ccc1C
InChIInChI=1S/C12H17NO2/c1-9-5-6-10(7-11(9)15-4)8-12(14)13(2)3/h5-7H,8H2,1-4H3
InChIKeyURHJJYXIXHOTSX-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.63
Rot. Bonds3

About 2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide

2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide (PubChem CID 60701058) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
PubChem CID60701058
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
SMILESCOc1cc(CC(=O)N(C)C)ccc1C
InChIInChI=1S/C12H17NO2/c1-9-5-6-10(7-11(9)15-4)8-12(14)13(2)3/h5-7H,8H2,1-4H3
InChIKeyURHJJYXIXHOTSX-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-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130276414
N-ethyl-N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 60701961
N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 115759889
3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
CID 61008101
2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 119196911
N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 110003368
N-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide
CID 61039698
2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 146135252
propan-2-yl 2-(3-methoxy-4-methylphenyl)acetate
CID 112723040
N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide
CID 115776203
2-(3-methoxy-4-methylphenyl)-N-(4-methoxy-3-methylphenyl)acetamide
CID 87032377
N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 55898481

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide (CID 60701058) is 2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide is COc1cc(CC(=O)N(C)C)ccc1C.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide?
The InChIKey is URHJJYXIXHOTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-5-6-10(7-11(9)15-4)8-12(14)13(2)3/h5-7H,8H2,1-4H3.
What are the key properties of 2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide?
2-(3-methoxy-4-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-4-methylphenyl)-N,N-dimethylacetamide is sourced from PubChem (CID 60701058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).