2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide

C26H30N2O3 — CID 4019800

IUPAC2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
SMILESCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C26H30N2O3/c1-17-6-9-22(12-19(17)3)27-15-21-8-11-24(25(14-21)30-5)31-16-26(29)28-23-10-7-18(2)20(4)13-23/h6-14,27H,15-16H2,1-5H3,(H,28,29)
InChIKeyVIUVTAXKKKKSAF-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.56
Rot. Bonds8

About 2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide

2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 4019800) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
PubChem CID4019800
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
SMILESCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C26H30N2O3/c1-17-6-9-22(12-19(17)3)27-15-21-8-11-24(25(14-21)30-5)31-16-26(29)28-23-10-7-18(2)20(4)13-23/h6-14,27H,15-16H2,1-5H3,(H,28,29)
InChIKeyVIUVTAXKKKKSAF-UHFFFAOYSA-N
XLogP5.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-methoxyanilino)methyl]phenoxy]acetamide
CID 5034754
2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66525784
2-[2-chloro-4-[(4-chloroanilino)methyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4553213
2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273143
2-[2-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126382451
2-[2-bromo-4-[(3,4-dimethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 3575641
2-[4-[(4-ethoxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 5187381
N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525764
2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126267103
2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273033
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3917191
2-[2-bromo-4-[(3,4-dimethylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539260

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide (CID 4019800) is 2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide is COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of 2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is VIUVTAXKKKKSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-17-6-9-22(12-19(17)3)27-15-21-8-11-24(25(14-21)30-5)31-16-26(29)28-23-10-7-18(2)20(4)13-23/h6-14,27H,15-16H2,1-5H3,(H,28,29).
What are the key properties of 2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide?
2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 418.54 g/mol, XLogP of 5.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 4019800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).