N-[2-oxo-2-[2-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide

C25H27N3O6 — CID 3366695

About N-[2-oxo-2-[2-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide

N-[2-oxo-2-[2-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide (PubChem CID 3366695) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[2-oxo-2-[2-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-oxo-2-[2-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide
• PubChem CID: 3366695
• Molecular Formula: C25H27N3O6
• Molecular Weight: 465.51 g/mol
• Exact Mass: 465.19
• IUPAC Name: N-[2-oxo-2-[2-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide
• SMILES: O=C(NCC(=O)N1CCC2(CC1)CCN(C(=O)CC1OC(=O)c3ccccc31)C2)c1ccco1
• InChI: InChI=1S/C25H27N3O6/c29-21(14-20-17-4-1-2-5-18(17)24(32)34-20)28-12-9-25(16-28)7-10-27(11-8-25)22(30)15-26-23(31)19-6-3-13-33-19/h1-6,13,20H,7-12,14-16H2,(H,26,31)
• InChIKey: RHTYNTCZWFUTNM-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 109.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.51
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide?

The IUPAC name of N-[2-oxo-2-[2-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide (CID 3366695) is N-[2-oxo-2-[2-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-oxo-2-[2-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-oxo-2-[2-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide is O=C(NCC(=O)N1CCC2(CC1)CCN(C(=O)CC1OC(=O)c3ccccc31)C2)c1ccco1.

What is the InChIKey of N-[2-oxo-2-[2-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide?

The InChIKey is RHTYNTCZWFUTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6/c29-21(14-20-17-4-1-2-5-18(17)24(32)34-20)28-12-9-25(16-28)7-10-27(11-8-25)22(30)15-26-23(31)19-6-3-13-33-19/h1-6,13,20H,7-12,14-16H2,(H,26,31).

What are the key properties of N-[2-oxo-2-[2-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide?

N-[2-oxo-2-[2-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-2-[2-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 3366695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).