8-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

C20H25ClN2O4 — CID 72849932

About 8-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

8-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72849932) has the molecular formula C20H25ClN2O4 and a molecular weight of 392.88 g/mol. Its IUPAC name is 8-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

• Compound Name: 8-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
• PubChem CID: 72849932
• Molecular Formula: C20H25ClN2O4
• Molecular Weight: 392.88 g/mol
• Exact Mass: 392.15
• IUPAC Name: 8-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
• SMILES: CCN1CC2(CCN(C(=O)Cc3cc4c(cc3Cl)OCCO4)CC2)CC1=O
• InChI: InChI=1S/C20H25ClN2O4/c1-2-22-13-20(12-19(22)25)3-5-23(6-4-20)18(24)10-14-9-16-17(11-15(14)21)27-8-7-26-16/h9,11H,2-8,10,12-13H2,1H3
• InChIKey: CVHLGZXUHDKGAS-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 59.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.88
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?

The IUPAC name of 8-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (CID 72849932) is 8-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.

What is the SMILES notation for 8-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?

The canonical SMILES for 8-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(C(=O)Cc3cc4c(cc3Cl)OCCO4)CC2)CC1=O.

What is the InChIKey of 8-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?

The InChIKey is CVHLGZXUHDKGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4/c1-2-22-13-20(12-19(22)25)3-5-23(6-4-20)18(24)10-14-9-16-17(11-15(14)21)27-8-7-26-16/h9,11H,2-8,10,12-13H2,1H3.

What are the key properties of 8-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?

8-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 392.88 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72849932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).