N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C24H32N2O3 — CID 55792767

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 55792767) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

• Compound Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
• PubChem CID: 55792767
• Molecular Formula: C24H32N2O3
• Molecular Weight: 396.53 g/mol
• Exact Mass: 396.24
• IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
• SMILES: Cc1ccc(C(C)C)c(OC(C)C(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1
• InChI: InChI=1S/C24H32N2O3/c1-15(2)20-12-11-16(3)13-21(20)29-19(6)24(28)26(7)14-22(27)25-23-17(4)9-8-10-18(23)5/h8-13,15,19H,14H2,1-7H3,(H,25,27)
• InChIKey: IWEOPGIBHDVYHV-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.53
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?

The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 55792767) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?

The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is Cc1ccc(C(C)C)c(OC(C)C(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1.

What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?

The InChIKey is IWEOPGIBHDVYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-15(2)20-12-11-16(3)13-21(20)29-19(6)24(28)26(7)14-22(27)25-23-17(4)9-8-10-18(23)5/h8-13,15,19H,14H2,1-7H3,(H,25,27).

What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 396.53 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 55792767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).