N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide

C23H28ClN3O2 — CID 84566712

About N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide

N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 84566712) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
• PubChem CID: 84566712
• Molecular Formula: C23H28ClN3O2
• Molecular Weight: 413.95 g/mol
• Exact Mass: 413.19
• IUPAC Name: N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
• SMILES: Cc1ccc(Cl)cc1NC(=O)CCN(CC(=O)Nc1c(C)cccc1C)C1CC1
• InChI: InChI=1S/C23H28ClN3O2/c1-15-7-8-18(24)13-20(15)25-21(28)11-12-27(19-9-10-19)14-22(29)26-23-16(2)5-4-6-17(23)3/h4-8,13,19H,9-12,14H2,1-3H3,(H,25,28)(H,26,29)
• InChIKey: KREKIGDWEOSSLM-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.95
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide?

The IUPAC name of N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide (CID 84566712) is N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide.

What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide?

The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide is Cc1ccc(Cl)cc1NC(=O)CCN(CC(=O)Nc1c(C)cccc1C)C1CC1.

What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide?

The InChIKey is KREKIGDWEOSSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-15-7-8-18(24)13-20(15)25-21(28)11-12-27(19-9-10-19)14-22(29)26-23-16(2)5-4-6-17(23)3/h4-8,13,19H,9-12,14H2,1-3H3,(H,25,28)(H,26,29).

What are the key properties of N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide?

N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 413.95 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 84566712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).