N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide

C24H31FN4O3 — CID 112769821

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide (PubChem CID 112769821) has the molecular formula C24H31FN4O3 and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide.

Molecular Properties

• Compound Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
• PubChem CID: 112769821
• Molecular Formula: C24H31FN4O3
• Molecular Weight: 442.54 g/mol
• Exact Mass: 442.24
• IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
• SMILES: CCN(CC(=O)NCc1ccc(F)cc1)C(C)C(=O)NCC(=O)Nc1c(C)cccc1C
• InChI: InChI=1S/C24H31FN4O3/c1-5-29(15-22(31)26-13-19-9-11-20(25)12-10-19)18(4)24(32)27-14-21(30)28-23-16(2)7-6-8-17(23)3/h6-12,18H,5,13-15H2,1-4H3,(H,26,31)(H,27,32)(H,28,30)
• InChIKey: ZKOAYHFJRBCUBF-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 90.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.54
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide?

The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide (CID 112769821) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide.

What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide?

The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide is CCN(CC(=O)NCc1ccc(F)cc1)C(C)C(=O)NCC(=O)Nc1c(C)cccc1C.

What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide?

The InChIKey is ZKOAYHFJRBCUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3/c1-5-29(15-22(31)26-13-19-9-11-20(25)12-10-19)18(4)24(32)27-14-21(30)28-23-16(2)7-6-8-17(23)3/h6-12,18H,5,13-15H2,1-4H3,(H,26,31)(H,27,32)(H,28,30).

What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide?

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide has a molecular weight of 442.54 g/mol, XLogP of 2.52, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 112769821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).