N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide

C12H18N2O3 — CID 119744992

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

About N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide

N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide (PubChem CID 119744992) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
PubChem CID119744992
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)Cc1ccc(OC)c(O)c1
InChIInChI=1S/C12H18N2O3/c1-13-7-12(16)14(2)8-9-4-5-11(17-3)10(15)6-9/h4-6,13,15H,7-8H2,1-3H3
InChIKeyOPLRCMLGHLWGDC-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

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Related Compounds

N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151962
3-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119301207
4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide
CID 120589966
N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide
CID 104923410
N-[(3,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641112
2-[(3-hydroxy-4-methoxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79833184
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119682810
3-[2-[2-carboxyethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]propanoic acid
CID 23205610
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 60937433
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide
CID 71917845
1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 87044605
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide?
The IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide (CID 119744992) is N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide.
What is the SMILES notation for N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide?
The canonical SMILES for N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide is CNCC(=O)N(C)Cc1ccc(OC)c(O)c1.
What is the InChIKey of N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide?
The InChIKey is OPLRCMLGHLWGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-13-7-12(16)14(2)8-9-4-5-11(17-3)10(15)6-9/h4-6,13,15H,7-8H2,1-3H3.
What are the key properties of N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide?
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide 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 N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide is sourced from PubChem (CID 119744992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).