2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide

C26H30N2O3 — CID 126259568

IUPAC2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
SMILESCCOc1cc(CNc2cccc(C)c2C)ccc1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C26H30N2O3/c1-5-30-25-15-21(16-27-23-11-7-9-19(3)20(23)4)12-13-24(25)31-17-26(29)28-22-10-6-8-18(2)14-22/h6-15,27H,5,16-17H2,1-4H3,(H,28,29)
InChIKeyBECBZDJTHWTKNR-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.64
Rot. Bonds9

About 2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide

2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 126259568) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
PubChem CID126259568
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
SMILESCCOc1cc(CNc2cccc(C)c2C)ccc1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C26H30N2O3/c1-5-30-25-15-21(16-27-23-11-7-9-19(3)20(23)4)12-13-24(25)31-17-26(29)28-22-10-6-8-18(2)14-22/h6-15,27H,5,16-17H2,1-4H3,(H,28,29)
InChIKeyBECBZDJTHWTKNR-UHFFFAOYSA-N
XLogP5.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 126383812
2-[4-(2-aminobutyl)-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 170889623
N-[(3-bromo-4-ethoxyphenyl)methyl]-2,3-dimethylaniline
CID 126127933
2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 3920331
2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126274994
2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273143
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 126384345
N-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-ethylanilino)methyl]phenoxy]acetamide
CID 4037519
2-[4-[(4-acetamidoanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539076
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126254566
2-[2-ethoxy-4-(methylaminomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 19589313
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide (CID 126259568) is 2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide is CCOc1cc(CNc2cccc(C)c2C)ccc1OCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is BECBZDJTHWTKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-5-30-25-15-21(16-27-23-11-7-9-19(3)20(23)4)12-13-24(25)31-17-26(29)28-22-10-6-8-18(2)14-22/h6-15,27H,5,16-17H2,1-4H3,(H,28,29).
What are the key properties of 2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide?
2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 418.54 g/mol, XLogP of 5.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126259568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).