N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide

C13H20N2O2 — CID 115152133

IUPACN-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)CCc1cccc(OC)c1
InChIInChI=1S/C13H20N2O2/c1-14-10-13(16)15(2)8-7-11-5-4-6-12(9-11)17-3/h4-6,9,14H,7-8,10H2,1-3H3
InChIKeyTVQXUODTXDQLER-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.92
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide

N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide (PubChem CID 115152133) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide
PubChem CID115152133
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)CCc1cccc(OC)c1
InChIInChI=1S/C13H20N2O2/c1-14-10-13(16)15(2)8-7-11-5-4-6-12(9-11)17-3/h4-6,9,14H,7-8,10H2,1-3H3
InChIKeyTVQXUODTXDQLER-UHFFFAOYSA-N
XLogP0.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
CID 115162712
2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetic acid
CID 82129650
3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid
CID 60989775
ethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate
CID 115142102
4-(3-methoxyphenyl)-1-(methylamino)butan-2-one
CID 112517732
3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993687
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648313
2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115188456
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
4-[2-(3-methoxyphenyl)ethyl-methylamino]butanoic acid
CID 115218804
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide (CID 115152133) is N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide is CNCC(=O)N(C)CCc1cccc(OC)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide?
The InChIKey is TVQXUODTXDQLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-14-10-13(16)15(2)8-7-11-5-4-6-12(9-11)17-3/h4-6,9,14H,7-8,10H2,1-3H3.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide?
N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide has a molecular weight of 236.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide is sourced from PubChem (CID 115152133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).