3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide

C13H20N2O3 — CID 103737026

IUPAC3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C13H20N2O3/c1-14-13(17)6-7-15(2)9-10-4-5-11(16)12(8-10)18-3/h4-5,8,16H,6-7,9H2,1-3H3,(H,14,17)
InChIKeyIQQAALJELOTRKL-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.97
Rot. Bonds6

About 3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide

3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide (PubChem CID 103737026) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
PubChem CID103737026
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C13H20N2O3/c1-14-13(17)6-7-15(2)9-10-4-5-11(16)12(8-10)18-3/h4-5,8,16H,6-7,9H2,1-3H3,(H,14,17)
InChIKeyIQQAALJELOTRKL-UHFFFAOYSA-N
XLogP0.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103829256
2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 79311898
N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide
CID 11960435
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 64592034
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 106788019
3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide
CID 62325164
N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 24589003
3-[(4-hydroxy-3-methoxyphenyl)methyl-methylsulfamoyl]propanoic acid
CID 60951356
2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide
CID 82977249
4-[(3,4-dimethoxyphenyl)methyl-methylamino]butanoic acid
CID 39366066
2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide
CID 8694746
4-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992880

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide (CID 103737026) is 3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)Cc1ccc(O)c(OC)c1.
What is the InChIKey of 3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
The InChIKey is IQQAALJELOTRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-14-13(17)6-7-15(2)9-10-4-5-11(16)12(8-10)18-3/h4-5,8,16H,6-7,9H2,1-3H3,(H,14,17).
What are the key properties of 3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 103737026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).