3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-ethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H35N3O4 — CID 70745840

About 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-ethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-ethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70745840) has the molecular formula C20H35N3O4 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-ethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-ethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 70745840
• Molecular Formula: C20H35N3O4
• Molecular Weight: 381.52 g/mol
• Exact Mass: 381.26
• IUPAC Name: 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-ethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CCOCC(=O)N1CCC2(CC1)CN(CCN(C)C1CCCCC1)C(=O)O2
• InChI: InChI=1S/C20H35N3O4/c1-3-26-15-18(24)22-11-9-20(10-12-22)16-23(19(25)27-20)14-13-21(2)17-7-5-4-6-8-17/h17H,3-16H2,1-2H3
• InChIKey: WANHTLIXFUNMNF-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 62.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.52
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-ethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-ethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70745840) is 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-ethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-ethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-ethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCOCC(=O)N1CCC2(CC1)CN(CCN(C)C1CCCCC1)C(=O)O2.

What is the InChIKey of 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-ethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is WANHTLIXFUNMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O4/c1-3-26-15-18(24)22-11-9-20(10-12-22)16-23(19(25)27-20)14-13-21(2)17-7-5-4-6-8-17/h17H,3-16H2,1-2H3.

What are the key properties of 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-ethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-ethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 381.52 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-ethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70745840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).