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

C23H29N3O2 — CID 84567301

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

3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide (PubChem CID 84567301) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide.

Molecular Properties

• Compound Name: 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide
• PubChem CID: 84567301
• Molecular Formula: C23H29N3O2
• Molecular Weight: 379.50 g/mol
• Exact Mass: 379.23
• IUPAC Name: 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide
• SMILES: Cc1cccc(NC(=O)CCN(CC(=O)Nc2c(C)cccc2C)C2CC2)c1
• InChI: InChI=1S/C23H29N3O2/c1-16-6-4-9-19(14-16)24-21(27)12-13-26(20-10-11-20)15-22(28)25-23-17(2)7-5-8-18(23)3/h4-9,14,20H,10-13,15H2,1-3H3,(H,24,27)(H,25,28)
• InChIKey: LYGFYEKNTBFMQF-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.50
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide (CID 84567301) is 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide.

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

The canonical SMILES for 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCN(CC(=O)Nc2c(C)cccc2C)C2CC2)c1.

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

The InChIKey is LYGFYEKNTBFMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-6-4-9-19(14-16)24-21(27)12-13-26(20-10-11-20)15-22(28)25-23-17(2)7-5-8-18(23)3/h4-9,14,20H,10-13,15H2,1-3H3,(H,24,27)(H,25,28).

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

3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide has a molecular weight of 379.50 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 84567301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).