(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylprop-2-enamide

C24H26F2N2O6 — CID 30781060

About (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylprop-2-enamide

(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylprop-2-enamide (PubChem CID 30781060) has the molecular formula C24H26F2N2O6 and a molecular weight of 476.48 g/mol. Its IUPAC name is (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylprop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylprop-2-enamide
• PubChem CID: 30781060
• Molecular Formula: C24H26F2N2O6
• Molecular Weight: 476.48 g/mol
• Exact Mass: 476.18
• IUPAC Name: (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylprop-2-enamide
• SMILES: CCOc1cc(/C=C/C(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(F)F
• InChI: InChI=1S/C24H26F2N2O6/c1-3-28(15-22(29)27-17-7-9-18-21(14-17)33-12-11-32-18)23(30)10-6-16-5-8-19(34-24(25)26)20(13-16)31-4-2/h5-10,13-14,24H,3-4,11-12,15H2,1-2H3,(H,27,29)/b10-6+
• InChIKey: OIDULVRXOUIDGR-UXBLZVDNSA-N
• XLogP: 3.96
• TPSA: 86.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.48
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylprop-2-enamide?

The IUPAC name of (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylprop-2-enamide (CID 30781060) is (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylprop-2-enamide.

What is the SMILES notation for (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylprop-2-enamide?

The canonical SMILES for (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylprop-2-enamide is CCOc1cc(/C=C/C(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(F)F.

What is the InChIKey of (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylprop-2-enamide?

The InChIKey is OIDULVRXOUIDGR-UXBLZVDNSA-N. The full InChI is InChI=1S/C24H26F2N2O6/c1-3-28(15-22(29)27-17-7-9-18-21(14-17)33-12-11-32-18)23(30)10-6-16-5-8-19(34-24(25)26)20(13-16)31-4-2/h5-10,13-14,24H,3-4,11-12,15H2,1-2H3,(H,27,29)/b10-6+.

What are the key properties of (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylprop-2-enamide?

(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylprop-2-enamide has a molecular weight of 476.48 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylprop-2-enamide is sourced from PubChem (CID 30781060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).