1-(diethylamino)-3-[2-methoxy-5-(1-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)phenoxy]propan-2-ol

C22H36N2O4 — CID 72877531

About 1-(diethylamino)-3-[2-methoxy-5-(1-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)phenoxy]propan-2-ol

1-(diethylamino)-3-[2-methoxy-5-(1-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)phenoxy]propan-2-ol (PubChem CID 72877531) has the molecular formula C22H36N2O4 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-(diethylamino)-3-[2-methoxy-5-(1-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-(diethylamino)-3-[2-methoxy-5-(1-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)phenoxy]propan-2-ol
• PubChem CID: 72877531
• Molecular Formula: C22H36N2O4
• Molecular Weight: 392.54 g/mol
• Exact Mass: 392.27
• IUPAC Name: 1-(diethylamino)-3-[2-methoxy-5-(1-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)phenoxy]propan-2-ol
• SMILES: CCN(CC)CC(O)COc1cc(CN2CCC3(CCO3)CC2)ccc1OC
• InChI: InChI=1S/C22H36N2O4/c1-4-23(5-2)16-19(25)17-27-21-14-18(6-7-20(21)26-3)15-24-11-8-22(9-12-24)10-13-28-22/h6-7,14,19,25H,4-5,8-13,15-17H2,1-3H3
• InChIKey: SQHILFGZBDHTPQ-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 54.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.54
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-[2-methoxy-5-(1-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)phenoxy]propan-2-ol?

The IUPAC name of 1-(diethylamino)-3-[2-methoxy-5-(1-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)phenoxy]propan-2-ol (CID 72877531) is 1-(diethylamino)-3-[2-methoxy-5-(1-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)phenoxy]propan-2-ol.

What is the SMILES notation for 1-(diethylamino)-3-[2-methoxy-5-(1-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)phenoxy]propan-2-ol?

The canonical SMILES for 1-(diethylamino)-3-[2-methoxy-5-(1-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)phenoxy]propan-2-ol is CCN(CC)CC(O)COc1cc(CN2CCC3(CCO3)CC2)ccc1OC.

What is the InChIKey of 1-(diethylamino)-3-[2-methoxy-5-(1-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)phenoxy]propan-2-ol?

The InChIKey is SQHILFGZBDHTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O4/c1-4-23(5-2)16-19(25)17-27-21-14-18(6-7-20(21)26-3)15-24-11-8-22(9-12-24)10-13-28-22/h6-7,14,19,25H,4-5,8-13,15-17H2,1-3H3.

What are the key properties of 1-(diethylamino)-3-[2-methoxy-5-(1-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)phenoxy]propan-2-ol?

1-(diethylamino)-3-[2-methoxy-5-(1-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)phenoxy]propan-2-ol has a molecular weight of 392.54 g/mol, XLogP of 2.53, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(diethylamino)-3-[2-methoxy-5-(1-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 72877531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).