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

C19H33N3O4 — CID 70755788

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

3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-hydroxypropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70755788) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-hydroxypropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-hydroxypropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 70755788
• Molecular Formula: C19H33N3O4
• Molecular Weight: 367.49 g/mol
• Exact Mass: 367.25
• IUPAC Name: 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-hydroxypropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CC(O)C(=O)N1CCC2(CC1)CN(CCN(C)C1CCCCC1)C(=O)O2
• InChI: InChI=1S/C19H33N3O4/c1-15(23)17(24)21-10-8-19(9-11-21)14-22(18(25)26-19)13-12-20(2)16-6-4-3-5-7-16/h15-16,23H,3-14H2,1-2H3
• InChIKey: OJUAPIJIWREYCJ-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 73.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.49
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-hydroxypropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70755788) is 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-hydroxypropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

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

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

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

The InChIKey is OJUAPIJIWREYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O4/c1-15(23)17(24)21-10-8-19(9-11-21)14-22(18(25)26-19)13-12-20(2)16-6-4-3-5-7-16/h15-16,23H,3-14H2,1-2H3.

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

3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-hydroxypropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 367.49 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 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-hydroxypropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70755788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).