N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide

C12H17NO2 — CID 115191366

IUPACN-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1cccc(CCN(C)C(C)=O)c1
InChIInChI=1S/C12H17NO2/c1-10(14)13(2)8-7-11-5-4-6-12(9-11)15-3/h4-6,9H,7-8H2,1-3H3
InChIKeySBHBLTYFRQCYCZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.72
Rot. Bonds4

About N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide

N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide (PubChem CID 115191366) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
PubChem CID115191366
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1cccc(CCN(C)C(C)=O)c1
InChIInChI=1S/C12H17NO2/c1-10(14)13(2)8-7-11-5-4-6-12(9-11)15-3/h4-6,9H,7-8H2,1-3H3
InChIKeySBHBLTYFRQCYCZ-UHFFFAOYSA-N
XLogP1.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetic acid
CID 82129650
3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
CID 115162712
N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 115152133
ethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate
CID 115142102
N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide
CID 118193850
2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115188456
3-[2-[acetyl(methyl)amino]ethyl]benzoic acid
CID 167729941
4-[2-(3-methoxyphenyl)ethyl-methylamino]butanoic acid
CID 115218804
3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid
CID 60989775
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-methyl-N-phenylpropanamide
CID 113121389
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 115191281

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide (CID 115191366) is N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide is COc1cccc(CCN(C)C(C)=O)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is SBHBLTYFRQCYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(14)13(2)8-7-11-5-4-6-12(9-11)15-3/h4-6,9H,7-8H2,1-3H3.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide?
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 207.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 115191366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).