N-[2-[2-[2-(4-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide

C24H28ClN3O4 — CID 4665105

About N-[2-[2-[2-(4-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide

N-[2-[2-[2-(4-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 4665105) has the molecular formula C24H28ClN3O4 and a molecular weight of 457.96 g/mol. Its IUPAC name is N-[2-[2-[2-(4-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-(4-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 4665105
• Molecular Formula: C24H28ClN3O4
• Molecular Weight: 457.96 g/mol
• Exact Mass: 457.18
• IUPAC Name: N-[2-[2-[2-(4-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
• SMILES: CC(C(=O)N1CCC2(CCN(C(=O)CNC(=O)c3ccco3)CC2)C1)c1ccc(Cl)cc1
• InChI: InChI=1S/C24H28ClN3O4/c1-17(18-4-6-19(25)7-5-18)23(31)28-13-10-24(16-28)8-11-27(12-9-24)21(29)15-26-22(30)20-3-2-14-32-20/h2-7,14,17H,8-13,15-16H2,1H3,(H,26,30)
• InChIKey: VQVKLIXKALJRCF-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 82.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.96
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-[2-[2-(4-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide (CID 4665105) is N-[2-[2-[2-(4-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[2-[2-(4-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-[2-[2-(4-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide is CC(C(=O)N1CCC2(CCN(C(=O)CNC(=O)c3ccco3)CC2)C1)c1ccc(Cl)cc1.

What is the InChIKey of N-[2-[2-[2-(4-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is VQVKLIXKALJRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4/c1-17(18-4-6-19(25)7-5-18)23(31)28-13-10-24(16-28)8-11-27(12-9-24)21(29)15-26-22(30)20-3-2-14-32-20/h2-7,14,17H,8-13,15-16H2,1H3,(H,26,30).

What are the key properties of N-[2-[2-[2-(4-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

N-[2-[2-[2-(4-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 457.96 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-(4-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 4665105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).