2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide

C12H18N2O3 — CID 82977637

IUPAC2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)Cc1ccc(OC)cc1O
InChIInChI=1S/C12H18N2O3/c1-13-12(16)8-14(2)7-9-4-5-10(17-3)6-11(9)15/h4-6,15H,7-8H2,1-3H3,(H,13,16)
InChIKeyWUMKTHZODGKQJX-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.58
Rot. Bonds5

About 2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide

2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide (PubChem CID 82977637) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide
PubChem CID82977637
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)Cc1ccc(OC)cc1O
InChIInChI=1S/C12H18N2O3/c1-13-12(16)8-14(2)7-9-4-5-10(17-3)6-11(9)15/h4-6,15H,7-8H2,1-3H3,(H,13,16)
InChIKeyWUMKTHZODGKQJX-UHFFFAOYSA-N
XLogP0.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenol
CID 14295123
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide
CID 82110242
N-ethyl-2-[ethyl-[(2-hydroxy-4-methoxyphenyl)methyl]amino]acetamide
CID 82986658
2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid
CID 102877379
2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60681059
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N-methylacetamide
CID 64769499
5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978581
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007102
N-(4-acetylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9101527
N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9101281

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide (CID 82977637) is 2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)Cc1ccc(OC)cc1O.
What is the InChIKey of 2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide?
The InChIKey is WUMKTHZODGKQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-13-12(16)8-14(2)7-9-4-5-10(17-3)6-11(9)15/h4-6,15H,7-8H2,1-3H3,(H,13,16).
What are the key properties of 2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide?
2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide has a molecular weight of 238.29 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 82977637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).