3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)propanamide

C23H29N3O3 — CID 84567756

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

3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)propanamide (PubChem CID 84567756) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

• Compound Name: 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)propanamide
• PubChem CID: 84567756
• Molecular Formula: C23H29N3O3
• Molecular Weight: 395.50 g/mol
• Exact Mass: 395.22
• IUPAC Name: 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)propanamide
• SMILES: COc1cccc(NC(=O)CCN(CC(=O)Nc2cc(C)ccc2C)C2CC2)c1
• InChI: InChI=1S/C23H29N3O3/c1-16-7-8-17(2)21(13-16)25-23(28)15-26(19-9-10-19)12-11-22(27)24-18-5-4-6-20(14-18)29-3/h4-8,13-14,19H,9-12,15H2,1-3H3,(H,24,27)(H,25,28)
• InChIKey: GAVLLFDFRHAKSO-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.50
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)propanamide (CID 84567756) is 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)propanamide.

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

The canonical SMILES for 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCN(CC(=O)Nc2cc(C)ccc2C)C2CC2)c1.

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

The InChIKey is GAVLLFDFRHAKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16-7-8-17(2)21(13-16)25-23(28)15-26(19-9-10-19)12-11-22(27)24-18-5-4-6-20(14-18)29-3/h4-8,13-14,19H,9-12,15H2,1-3H3,(H,24,27)(H,25,28).

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

3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)propanamide has a molecular weight of 395.50 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 84567756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).