5-tert-butyl-4-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]furan-2-carboxamide

C18H27N3O4 — CID 56914079

About 5-tert-butyl-4-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]furan-2-carboxamide

5-tert-butyl-4-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]furan-2-carboxamide (PubChem CID 56914079) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-tert-butyl-4-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-4-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]furan-2-carboxamide
• PubChem CID: 56914079
• Molecular Formula: C18H27N3O4
• Molecular Weight: 349.43 g/mol
• Exact Mass: 349.20
• IUPAC Name: 5-tert-butyl-4-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]furan-2-carboxamide
• SMILES: CN1CC2(CCCN(Cc3cc(C(N)=O)oc3C(C)(C)C)C2)OC1=O
• InChI: InChI=1S/C18H27N3O4/c1-17(2,3)14-12(8-13(24-14)15(19)22)9-21-7-5-6-18(11-21)10-20(4)16(23)25-18/h8H,5-7,9-11H2,1-4H3,(H2,19,22)
• InChIKey: PFRPFOYYRBJWEK-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 89.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.43
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]furan-2-carboxamide?

The IUPAC name of 5-tert-butyl-4-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]furan-2-carboxamide (CID 56914079) is 5-tert-butyl-4-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]furan-2-carboxamide.

What is the SMILES notation for 5-tert-butyl-4-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]furan-2-carboxamide?

The canonical SMILES for 5-tert-butyl-4-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]furan-2-carboxamide is CN1CC2(CCCN(Cc3cc(C(N)=O)oc3C(C)(C)C)C2)OC1=O.

What is the InChIKey of 5-tert-butyl-4-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]furan-2-carboxamide?

The InChIKey is PFRPFOYYRBJWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-17(2,3)14-12(8-13(24-14)15(19)22)9-21-7-5-6-18(11-21)10-20(4)16(23)25-18/h8H,5-7,9-11H2,1-4H3,(H2,19,22).

What are the key properties of 5-tert-butyl-4-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]furan-2-carboxamide?

5-tert-butyl-4-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]furan-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-4-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 56914079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).