7-(2-hydroxyethyl)-2-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C19H28N2O4 — CID 72861988

About 7-(2-hydroxyethyl)-2-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(2-hydroxyethyl)-2-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72861988) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)-2-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: 7-(2-hydroxyethyl)-2-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 72861988
• Molecular Formula: C19H28N2O4
• Molecular Weight: 348.44 g/mol
• Exact Mass: 348.20
• IUPAC Name: 7-(2-hydroxyethyl)-2-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• SMILES: Cc1oc(C(C)C)cc1C(=O)N1CCC2(CCCN(CCO)C2=O)C1
• InChI: InChI=1S/C19H28N2O4/c1-13(2)16-11-15(14(3)25-16)17(23)21-8-6-19(12-21)5-4-7-20(9-10-22)18(19)24/h11,13,22H,4-10,12H2,1-3H3
• InChIKey: QYXJWYONXSAGJO-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 73.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.44
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethyl)-2-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of 7-(2-hydroxyethyl)-2-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72861988) is 7-(2-hydroxyethyl)-2-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for 7-(2-hydroxyethyl)-2-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for 7-(2-hydroxyethyl)-2-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1oc(C(C)C)cc1C(=O)N1CCC2(CCCN(CCO)C2=O)C1.

What is the InChIKey of 7-(2-hydroxyethyl)-2-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is QYXJWYONXSAGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13(2)16-11-15(14(3)25-16)17(23)21-8-6-19(12-21)5-4-7-20(9-10-22)18(19)24/h11,13,22H,4-10,12H2,1-3H3.

What are the key properties of 7-(2-hydroxyethyl)-2-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

7-(2-hydroxyethyl)-2-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 348.44 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-hydroxyethyl)-2-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72861988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).