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

C33H38N4O3 — CID 5191624

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

N-benzyl-N-methyl-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 5191624) has the molecular formula C33H38N4O3 and a molecular weight of 538.69 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-N-methyl-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 5191624
• Molecular Formula: C33H38N4O3
• Molecular Weight: 538.69 g/mol
• Exact Mass: 538.29
• IUPAC Name: N-benzyl-N-methyl-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)N(C)Cc1ccccc1)CN2c1ccccc1)c1ccccc1
• InChI: InChI=1S/C33H38N4O3/c1-3-29(27-15-9-5-10-16-27)31(39)35-21-19-33(20-22-35)32(40)36(25-37(33)28-17-11-6-12-18-28)24-30(38)34(2)23-26-13-7-4-8-14-26/h4-18,29H,3,19-25H2,1-2H3
• InChIKey: FTLLANDFKPAFRY-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 64.17 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.69
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-benzyl-N-methyl-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 5191624) is N-benzyl-N-methyl-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-benzyl-N-methyl-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-benzyl-N-methyl-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)N(C)Cc1ccccc1)CN2c1ccccc1)c1ccccc1.

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

The InChIKey is FTLLANDFKPAFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O3/c1-3-29(27-15-9-5-10-16-27)31(39)35-21-19-33(20-22-35)32(40)36(25-37(33)28-17-11-6-12-18-28)24-30(38)34(2)23-26-13-7-4-8-14-26/h4-18,29H,3,19-25H2,1-2H3.

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

N-benzyl-N-methyl-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 538.69 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-methyl-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 5191624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).