methyl 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

C20H30N2O4 — CID 45245848

About methyl 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 45245848) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

• Compound Name: methyl 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
• PubChem CID: 45245848
• Molecular Formula: C20H30N2O4
• Molecular Weight: 362.47 g/mol
• Exact Mass: 362.22
• IUPAC Name: methyl 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
• SMILES: COC(=O)C1CC(=O)N(CCC(C)C)C12CCN(Cc1ccoc1)CC2
• InChI: InChI=1S/C20H30N2O4/c1-15(2)4-8-22-18(23)12-17(19(24)25-3)20(22)6-9-21(10-7-20)13-16-5-11-26-14-16/h5,11,14-15,17H,4,6-10,12-13H2,1-3H3
• InChIKey: TYIHJRWZBPJHOD-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 62.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.47
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?

The IUPAC name of methyl 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 45245848) is methyl 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.

What is the SMILES notation for methyl 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?

The canonical SMILES for methyl 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is COC(=O)C1CC(=O)N(CCC(C)C)C12CCN(Cc1ccoc1)CC2.

What is the InChIKey of methyl 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?

The InChIKey is TYIHJRWZBPJHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-15(2)4-8-22-18(23)12-17(19(24)25-3)20(22)6-9-21(10-7-20)13-16-5-11-26-14-16/h5,11,14-15,17H,4,6-10,12-13H2,1-3H3.

What are the key properties of methyl 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?

methyl 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 45245848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).