2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide

C20H26N2O4 — CID 9058407

IUPAC2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H26N2O4/c1-14-6-8-17(24-3)16(10-14)21-20(23)13-22(2)12-15-7-9-18(25-4)19(11-15)26-5/h6-11H,12-13H2,1-5H3,(H,21,23)
InChIKeyJZXRZRYLIPVXKF-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.09
Rot. Bonds8

About 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 9058407) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID9058407
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H26N2O4/c1-14-6-8-17(24-3)16(10-14)21-20(23)13-22(2)12-15-7-9-18(25-4)19(11-15)26-5/h6-11H,12-13H2,1-5H3,(H,21,23)
InChIKeyJZXRZRYLIPVXKF-UHFFFAOYSA-N
XLogP3.09
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 9058407) is 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CN(C)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is JZXRZRYLIPVXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14-6-8-17(24-3)16(10-14)21-20(23)13-22(2)12-15-7-9-18(25-4)19(11-15)26-5/h6-11H,12-13H2,1-5H3,(H,21,23).
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 9058407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).