2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

C21H32N2O4 — CID 70733806

About 2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70733806) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 70733806
• Molecular Formula: C21H32N2O4
• Molecular Weight: 376.50 g/mol
• Exact Mass: 376.24
• IUPAC Name: 2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: COCCN1CC2(CCC1=O)CCN(CCOc1ccc(OC)cc1)CC2
• InChI: InChI=1S/C21H32N2O4/c1-25-15-14-23-17-21(8-7-20(23)24)9-11-22(12-10-21)13-16-27-19-5-3-18(26-2)4-6-19/h3-6H,7-17H2,1-2H3
• InChIKey: CONHTWJAEMGXEX-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 51.24 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.50
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70733806) is 2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(CCOc1ccc(OC)cc1)CC2.

What is the InChIKey of 2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is CONHTWJAEMGXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-25-15-14-23-17-21(8-7-20(23)24)9-11-22(12-10-21)13-16-27-19-5-3-18(26-2)4-6-19/h3-6H,7-17H2,1-2H3.

What are the key properties of 2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?

2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 376.50 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70733806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).