N-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C16H21N3O4 — CID 131639538

About N-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

N-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 131639538) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 131639538
• Molecular Formula: C16H21N3O4
• Molecular Weight: 319.36 g/mol
• Exact Mass: 319.15
• IUPAC Name: N-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: CC(C)C(=O)N1CCC2(CC(C(=O)NCc3ccco3)=NO2)C1
• InChI: InChI=1S/C16H21N3O4/c1-11(2)15(21)19-6-5-16(10-19)8-13(18-23-16)14(20)17-9-12-4-3-7-22-12/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,17,20)
• InChIKey: GSEBRUFHHHWIIZ-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 84.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.36
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The IUPAC name of N-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 131639538) is N-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for N-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is CC(C)C(=O)N1CCC2(CC(C(=O)NCc3ccco3)=NO2)C1.

What is the InChIKey of N-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The InChIKey is GSEBRUFHHHWIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-11(2)15(21)19-6-5-16(10-19)8-13(18-23-16)14(20)17-9-12-4-3-7-22-12/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,17,20).

What are the key properties of N-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

N-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 131639538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).