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N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide

C12H18N2O3 — CID 55190564

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCc1ccc(OC)cc1OC
InChIInChI=1S/C12H18N2O3/c1-13-8-12(15)14-7-9-4-5-10(16-2)6-11(9)17-3/h4-6,13H,7-8H2,1-3H3,(H,14,15)
InChIKeyMXEDCVMNZNSPGU-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.54
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide

N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide (PubChem CID 55190564) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
PubChem CID55190564
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCc1ccc(OC)cc1OC
InChIInChI=1S/C12H18N2O3/c1-13-8-12(15)14-7-9-4-5-10(16-2)6-11(9)17-3/h4-6,13H,7-8H2,1-3H3,(H,14,15)
InChIKeyMXEDCVMNZNSPGU-UHFFFAOYSA-N
XLogP0.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide (CID 55190564) is N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide is CNCC(=O)NCc1ccc(OC)cc1OC.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide?
The InChIKey is MXEDCVMNZNSPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-13-8-12(15)14-7-9-4-5-10(16-2)6-11(9)17-3/h4-6,13H,7-8H2,1-3H3,(H,14,15).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide is sourced from PubChem (CID 55190564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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