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

C20H31N3O3 — CID 84562403

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

3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-(2-hydroxyethyl)propanamide (PubChem CID 84562403) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-(2-hydroxyethyl)propanamide.

Molecular Properties

• Compound Name: 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-(2-hydroxyethyl)propanamide
• PubChem CID: 84562403
• Molecular Formula: C20H31N3O3
• Molecular Weight: 361.49 g/mol
• Exact Mass: 361.24
• IUPAC Name: 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-(2-hydroxyethyl)propanamide
• SMILES: CCN(CCO)C(=O)CCN(CC(=O)Nc1c(C)cccc1C)C1CC1
• InChI: InChI=1S/C20H31N3O3/c1-4-22(12-13-24)19(26)10-11-23(17-8-9-17)14-18(25)21-20-15(2)6-5-7-16(20)3/h5-7,17,24H,4,8-14H2,1-3H3,(H,21,25)
• InChIKey: NMLNJIHFJUIIDZ-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 72.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.49
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-(2-hydroxyethyl)propanamide (CID 84562403) is 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-(2-hydroxyethyl)propanamide.

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

The canonical SMILES for 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-(2-hydroxyethyl)propanamide is CCN(CCO)C(=O)CCN(CC(=O)Nc1c(C)cccc1C)C1CC1.

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

The InChIKey is NMLNJIHFJUIIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-4-22(12-13-24)19(26)10-11-23(17-8-9-17)14-18(25)21-20-15(2)6-5-7-16(20)3/h5-7,17,24H,4,8-14H2,1-3H3,(H,21,25).

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

3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-(2-hydroxyethyl)propanamide has a molecular weight of 361.49 g/mol, XLogP of 1.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 84562403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).