4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide

C18H20N2O3 — CID 7931575

IUPAC4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(C(N)=O)cc2)c(C)c1
InChIInChI=1S/C18H20N2O3/c1-11-8-12(2)17(13(3)9-11)20-16(21)10-23-15-6-4-14(5-7-15)18(19)22/h4-9H,10H2,1-3H3,(H2,19,22)(H,20,21)
InChIKeyJOMBEQLCSBEIKL-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.73
Rot. Bonds5

About 4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide

4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide (PubChem CID 7931575) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide
PubChem CID7931575
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(C(N)=O)cc2)c(C)c1
InChIInChI=1S/C18H20N2O3/c1-11-8-12(2)17(13(3)9-11)20-16(21)10-23-15-6-4-14(5-7-15)18(19)22/h4-9H,10H2,1-3H3,(H2,19,22)(H,20,21)
InChIKeyJOMBEQLCSBEIKL-UHFFFAOYSA-N
XLogP2.73
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 720094
2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 51174673
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide
CID 56546028
N-(2-amino-4,6-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 56773293
N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide
CID 50881036
N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide
CID 24607292
2-[[2-(4-phenoxyphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26080587
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(trifluoromethoxy)benzoate
CID 7796496
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 21173330
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-oxo-4-(4-propoxyphenyl)butanoate
CID 7189810
2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 4995850

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide?
The IUPAC name of 4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide (CID 7931575) is 4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide.
What is the SMILES notation for 4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide?
The canonical SMILES for 4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide is Cc1cc(C)c(NC(=O)COc2ccc(C(N)=O)cc2)c(C)c1.
What is the InChIKey of 4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide?
The InChIKey is JOMBEQLCSBEIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11-8-12(2)17(13(3)9-11)20-16(21)10-23-15-6-4-14(5-7-15)18(19)22/h4-9H,10H2,1-3H3,(H2,19,22)(H,20,21).
What are the key properties of 4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide?
4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide is sourced from PubChem (CID 7931575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).