1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

C23H36N2O3 — CID 162638336

About 1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162638336) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is 1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

• Compound Name: 1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
• PubChem CID: 162638336
• Molecular Formula: C23H36N2O3
• Molecular Weight: 388.55 g/mol
• Exact Mass: 388.27
• IUPAC Name: 1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
• SMILES: CCOc1cc(CN2CCCC23CCCN(C(C)C)C3=O)ccc1OC(C)C
• InChI: InChI=1S/C23H36N2O3/c1-6-27-21-15-19(9-10-20(21)28-18(4)5)16-24-13-7-11-23(24)12-8-14-25(17(2)3)22(23)26/h9-10,15,17-18H,6-8,11-14,16H2,1-5H3
• InChIKey: GRRZBVNORLNACE-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 42.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.55
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?

The IUPAC name of 1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (CID 162638336) is 1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.

What is the SMILES notation for 1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?

The canonical SMILES for 1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is CCOc1cc(CN2CCCC23CCCN(C(C)C)C3=O)ccc1OC(C)C.

What is the InChIKey of 1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?

The InChIKey is GRRZBVNORLNACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O3/c1-6-27-21-15-19(9-10-20(21)28-18(4)5)16-24-13-7-11-23(24)12-8-14-25(17(2)3)22(23)26/h9-10,15,17-18H,6-8,11-14,16H2,1-5H3.

What are the key properties of 1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?

1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 388.55 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162638336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).