2-[2-(4-methylanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide

C18H20N2O3 — CID 3391212

IUPAC2-[2-(4-methylanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COCC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-3-7-15(8-4-13)19-17(21)11-23-12-18(22)20-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVWVLZTHELHTKAG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.90
Rot. Bonds6

About 2-[2-(4-methylanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide

2-[2-(4-methylanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide (PubChem CID 3391212) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[2-(4-methylanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methylanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide
PubChem CID3391212
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-[2-(4-methylanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COCC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-3-7-15(8-4-13)19-17(21)11-23-12-18(22)20-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVWVLZTHELHTKAG-UHFFFAOYSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(4-methylanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide (CID 3391212) is 2-[2-(4-methylanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-methylanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-methylanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COCC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[2-(4-methylanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is VWVLZTHELHTKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-3-7-15(8-4-13)19-17(21)11-23-12-18(22)20-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-[2-(4-methylanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide?
2-[2-(4-methylanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 3391212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).