N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide

C13H19NO3 — CID 115191281

IUPACN-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccc(CCN(C)C(C)=O)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-10(15)14(2)8-7-11-5-6-12(16-3)9-13(11)17-4/h5-6,9H,7-8H2,1-4H3
InChIKeyYTKQJPYRCXVWCP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.72
Rot. Bonds5

About N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide

N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide (PubChem CID 115191281) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide
PubChem CID115191281
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccc(CCN(C)C(C)=O)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-10(15)14(2)8-7-11-5-6-12(16-3)9-13(11)17-4/h5-6,9H,7-8H2,1-4H3
InChIKeyYTKQJPYRCXVWCP-UHFFFAOYSA-N
XLogP1.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate
CID 115190775
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide
CID 115166684
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine
CID 117044148
N-[2-(2-chloro-4-methoxyphenyl)ethyl]-N-methyl-2-oxopropanamide
CID 115176047
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylacetamide
CID 22367215
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
2-(2,5-dimethoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170385
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 115137127
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-N-methylacetamide
CID 3022622

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide (CID 115191281) is N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide is COc1ccc(CCN(C)C(C)=O)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is YTKQJPYRCXVWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(15)14(2)8-7-11-5-6-12(16-3)9-13(11)17-4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 237.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 115191281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).