N-(furan-2-ylmethyl)-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

C28H30N4O5 — CID 3916702

About N-(furan-2-ylmethyl)-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

N-(furan-2-ylmethyl)-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 3916702) has the molecular formula C28H30N4O5 and a molecular weight of 502.57 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 3916702
• Molecular Formula: C28H30N4O5
• Molecular Weight: 502.57 g/mol
• Exact Mass: 502.22
• IUPAC Name: N-(furan-2-ylmethyl)-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• SMILES: COc1cccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCc2ccco2)CN3c2ccccc2)c1
• InChI: InChI=1S/C28H30N4O5/c1-36-23-10-5-7-21(17-23)26(34)30-14-12-28(13-15-30)27(35)31(20-32(28)22-8-3-2-4-9-22)19-25(33)29-18-24-11-6-16-37-24/h2-11,16-17H,12-15,18-20H2,1H3,(H,29,33)
• InChIKey: RJAIAZKNLFQDFI-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 95.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.57
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-(furan-2-ylmethyl)-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 3916702) is N-(furan-2-ylmethyl)-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-(furan-2-ylmethyl)-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is COc1cccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCc2ccco2)CN3c2ccccc2)c1.

What is the InChIKey of N-(furan-2-ylmethyl)-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The InChIKey is RJAIAZKNLFQDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O5/c1-36-23-10-5-7-21(17-23)26(34)30-14-12-28(13-15-30)27(35)31(20-32(28)22-8-3-2-4-9-22)19-25(33)29-18-24-11-6-16-37-24/h2-11,16-17H,12-15,18-20H2,1H3,(H,29,33).

What are the key properties of N-(furan-2-ylmethyl)-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

N-(furan-2-ylmethyl)-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 502.57 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 3916702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).