2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide

C23H24N2O2 — CID 126267882

IUPAC2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)c1
InChIInChI=1S/C23H24N2O2/c1-17-5-3-7-20(13-17)24-15-19-9-11-22(12-10-19)27-16-23(26)25-21-8-4-6-18(2)14-21/h3-14,24H,15-16H2,1-2H3,(H,25,26)
InChIKeyCZJCWSGAVDOGLK-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.93
Rot. Bonds7

About 2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide

2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 126267882) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
PubChem CID126267882
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)c1
InChIInChI=1S/C23H24N2O2/c1-17-5-3-7-20(13-17)24-15-19-9-11-22(12-10-19)27-16-23(26)25-21-8-4-6-18(2)14-21/h3-14,24H,15-16H2,1-2H3,(H,25,26)
InChIKeyCZJCWSGAVDOGLK-UHFFFAOYSA-N
XLogP4.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 28561560
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(4-methylphenoxy)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982175
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 63364236
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide
CID 60629869
[2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606225
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide
CID 30128386
N-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide
CID 9252560
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
N-(3-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 729999

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide (CID 126267882) is 2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide is Cc1cccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)c1.
What is the InChIKey of 2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is CZJCWSGAVDOGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-17-5-3-7-20(13-17)24-15-19-9-11-22(12-10-19)27-16-23(26)25-21-8-4-6-18(2)14-21/h3-14,24H,15-16H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 360.46 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126267882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).