2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide

C26H34FN3O3 — CID 4133888

About 2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide

2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide (PubChem CID 4133888) has the molecular formula C26H34FN3O3 and a molecular weight of 455.57 g/mol. Its IUPAC name is 2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide.

Molecular Properties

• Compound Name: 2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
• PubChem CID: 4133888
• Molecular Formula: C26H34FN3O3
• Molecular Weight: 455.57 g/mol
• Exact Mass: 455.26
• IUPAC Name: 2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
• SMILES: CCCCC(CC)C(=O)N(CC(=O)NCC(=O)Nc1ccc(C)cc1)Cc1ccc(F)cc1
• InChI: InChI=1S/C26H34FN3O3/c1-4-6-7-21(5-2)26(33)30(17-20-10-12-22(27)13-11-20)18-25(32)28-16-24(31)29-23-14-8-19(3)9-15-23/h8-15,21H,4-7,16-18H2,1-3H3,(H,28,32)(H,29,31)
• InChIKey: GZNVGXAFRSABIN-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.57
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide (CID 4133888) is 2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide.

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

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

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

The InChIKey is GZNVGXAFRSABIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O3/c1-4-6-7-21(5-2)26(33)30(17-20-10-12-22(27)13-11-20)18-25(32)28-16-24(31)29-23-14-8-19(3)9-15-23/h8-15,21H,4-7,16-18H2,1-3H3,(H,28,32)(H,29,31).

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

2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide has a molecular weight of 455.57 g/mol, XLogP of 4.43, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide is sourced from PubChem (CID 4133888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).