N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide

C24H30ClN3O2 — CID 84567729

About N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide

N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 84567729) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

• Compound Name: N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
• PubChem CID: 84567729
• Molecular Formula: C24H30ClN3O2
• Molecular Weight: 427.98 g/mol
• Exact Mass: 427.20
• IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
• SMILES: Cc1cc(C)c(NC(=O)CCN(CC(=O)Nc2cc(C)ccc2C)C2CC2)c(Cl)c1
• InChI: InChI=1S/C24H30ClN3O2/c1-15-5-6-17(3)21(13-15)26-23(30)14-28(19-7-8-19)10-9-22(29)27-24-18(4)11-16(2)12-20(24)25/h5-6,11-13,19H,7-10,14H2,1-4H3,(H,26,30)(H,27,29)
• InChIKey: QINOYIBBHTUEDT-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.98
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide?

The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide (CID 84567729) is N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide.

What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide?

The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide is Cc1cc(C)c(NC(=O)CCN(CC(=O)Nc2cc(C)ccc2C)C2CC2)c(Cl)c1.

What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide?

The InChIKey is QINOYIBBHTUEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-15-5-6-17(3)21(13-15)26-23(30)14-28(19-7-8-19)10-9-22(29)27-24-18(4)11-16(2)12-20(24)25/h5-6,11-13,19H,7-10,14H2,1-4H3,(H,26,30)(H,27,29).

What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide?

N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 427.98 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 84567729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).