2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide

C24H30FN3O4 — CID 4991756

About 2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide

2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide (PubChem CID 4991756) has the molecular formula C24H30FN3O4 and a molecular weight of 443.52 g/mol. Its IUPAC name is 2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide.

Molecular Properties

• Compound Name: 2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide
• PubChem CID: 4991756
• Molecular Formula: C24H30FN3O4
• Molecular Weight: 443.52 g/mol
• Exact Mass: 443.22
• IUPAC Name: 2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide
• SMILES: CCC(CC)C(=O)N(CC(=O)NCC(=O)Nc1ccc(OC)cc1)Cc1ccc(F)cc1
• InChI: InChI=1S/C24H30FN3O4/c1-4-18(5-2)24(31)28(15-17-6-8-19(25)9-7-17)16-23(30)26-14-22(29)27-20-10-12-21(32-3)13-11-20/h6-13,18H,4-5,14-16H2,1-3H3,(H,26,30)(H,27,29)
• InChIKey: PIOZYVLYKCRNSB-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.52
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide?

The IUPAC name of 2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide (CID 4991756) is 2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide.

What is the SMILES notation for 2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide?

The canonical SMILES for 2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide is CCC(CC)C(=O)N(CC(=O)NCC(=O)Nc1ccc(OC)cc1)Cc1ccc(F)cc1.

What is the InChIKey of 2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide?

The InChIKey is PIOZYVLYKCRNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O4/c1-4-18(5-2)24(31)28(15-17-6-8-19(25)9-7-17)16-23(30)26-14-22(29)27-20-10-12-21(32-3)13-11-20/h6-13,18H,4-5,14-16H2,1-3H3,(H,26,30)(H,27,29).

What are the key properties of 2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide?

2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide has a molecular weight of 443.52 g/mol, XLogP of 3.35, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide is sourced from PubChem (CID 4991756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).