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

C30H34N4O4 — CID 3670064

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

N-(furan-2-ylmethyl)-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 3670064) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 3670064
• Molecular Formula: C30H34N4O4
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.26
• IUPAC Name: N-(furan-2-ylmethyl)-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• SMILES: CCC(C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCc1ccco1)CN2c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H34N4O4/c1-2-26(23-10-5-3-6-11-23)28(36)32-17-15-30(16-18-32)29(37)33(22-34(30)24-12-7-4-8-13-24)21-27(35)31-20-25-14-9-19-38-25/h3-14,19,26H,2,15-18,20-22H2,1H3,(H,31,35)
• InChIKey: ZDEQXLZEXXYTMC-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 86.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(furan-2-ylmethyl)-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 3670064) is N-(furan-2-ylmethyl)-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

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

The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is CCC(C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCc1ccco1)CN2c1ccccc1)c1ccccc1.

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

The InChIKey is ZDEQXLZEXXYTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-2-26(23-10-5-3-6-11-23)28(36)32-17-15-30(16-18-32)29(37)33(22-34(30)24-12-7-4-8-13-24)21-27(35)31-20-25-14-9-19-38-25/h3-14,19,26H,2,15-18,20-22H2,1H3,(H,31,35).

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

N-(furan-2-ylmethyl)-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 514.63 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 3670064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).