2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide

C12H18N2O2 — CID 8805233

IUPAC2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(C)cc1CN(C)CC(N)=O
InChIInChI=1S/C12H18N2O2/c1-9-4-5-11(16-3)10(6-9)7-14(2)8-12(13)15/h4-6H,7-8H2,1-3H3,(H2,13,15)
InChIKeyRGIWPKNNLDMJKM-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.92
Rot. Bonds5

About 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide

2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide (PubChem CID 8805233) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide
PubChem CID8805233
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(C)cc1CN(C)CC(N)=O
InChIInChI=1S/C12H18N2O2/c1-9-4-5-11(16-3)10(6-9)7-14(2)8-12(13)15/h4-6H,7-8H2,1-3H3,(H2,13,15)
InChIKeyRGIWPKNNLDMJKM-UHFFFAOYSA-N
XLogP0.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide (CID 8805233) is 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide is COc1ccc(C)cc1CN(C)CC(N)=O.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide?
The InChIKey is RGIWPKNNLDMJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-4-5-11(16-3)10(6-9)7-14(2)8-12(13)15/h4-6H,7-8H2,1-3H3,(H2,13,15).
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide?
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8805233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).