N-[2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide

C27H33N3O6 — CID 3741573

About N-[2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide

N-[2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 3741573) has the molecular formula C27H33N3O6 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 3741573
• Molecular Formula: C27H33N3O6
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.24
• IUPAC Name: N-[2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
• SMILES: O=C(NCC(=O)N1CCC2(CC1)CCN(C(=O)CCCc1ccc3c(c1)OCCO3)C2)c1ccco1
• InChI: InChI=1S/C27H33N3O6/c31-24(5-1-3-20-6-7-21-23(17-20)36-16-15-35-21)30-13-10-27(19-30)8-11-29(12-9-27)25(32)18-28-26(33)22-4-2-14-34-22/h2,4,6-7,14,17H,1,3,5,8-13,15-16,18-19H2,(H,28,33)
• InChIKey: JEDJQGYOROZTJB-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 101.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide (CID 3741573) is N-[2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N1CCC2(CC1)CCN(C(=O)CCCc1ccc3c(c1)OCCO3)C2)c1ccco1.

What is the InChIKey of N-[2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is JEDJQGYOROZTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O6/c31-24(5-1-3-20-6-7-21-23(17-20)36-16-15-35-21)30-13-10-27(19-30)8-11-29(12-9-27)25(32)18-28-26(33)22-4-2-14-34-22/h2,4,6-7,14,17H,1,3,5,8-13,15-16,18-19H2,(H,28,33).

What are the key properties of N-[2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

N-[2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3741573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).