N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

C16H21F2N3O4 — CID 8906546

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (PubChem CID 8906546) has the molecular formula C16H21F2N3O4 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
• PubChem CID: 8906546
• Molecular Formula: C16H21F2N3O4
• Molecular Weight: 357.36 g/mol
• Exact Mass: 357.15
• IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
• SMILES: CCN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)CC(=O)NC(C)C
• InChI: InChI=1S/C16H21F2N3O4/c1-4-21(8-14(22)19-10(2)3)9-15(23)20-11-5-6-12-13(7-11)25-16(17,18)24-12/h5-7,10H,4,8-9H2,1-3H3,(H,19,22)(H,20,23)
• InChIKey: INDXFNDZZLOLAU-UHFFFAOYSA-N
• XLogP: 1.79
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.36
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?

The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (CID 8906546) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.

What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?

The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is CCN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)CC(=O)NC(C)C.

What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?

The InChIKey is INDXFNDZZLOLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O4/c1-4-21(8-14(22)19-10(2)3)9-15(23)20-11-5-6-12-13(7-11)25-16(17,18)24-12/h5-7,10H,4,8-9H2,1-3H3,(H,19,22)(H,20,23).

What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide has a molecular weight of 357.36 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is sourced from PubChem (CID 8906546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).