N-butan-2-yl-2-[8-(3,3-dimethylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

C25H38N4O3 — CID 3948472

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

N-butan-2-yl-2-[8-(3,3-dimethylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 3948472) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is N-butan-2-yl-2-[8-(3,3-dimethylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-butan-2-yl-2-[8-(3,3-dimethylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 3948472
• Molecular Formula: C25H38N4O3
• Molecular Weight: 442.60 g/mol
• Exact Mass: 442.29
• IUPAC Name: N-butan-2-yl-2-[8-(3,3-dimethylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• SMILES: CCC(C)NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)CC(C)(C)C)CC2)C1=O
• InChI: InChI=1S/C25H38N4O3/c1-6-19(2)26-21(30)17-28-18-29(20-10-8-7-9-11-20)25(23(28)32)12-14-27(15-13-25)22(31)16-24(3,4)5/h7-11,19H,6,12-18H2,1-5H3,(H,26,30)
• InChIKey: DQOICEXSKSTULF-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.60
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-butan-2-yl-2-[8-(3,3-dimethylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 3948472) is N-butan-2-yl-2-[8-(3,3-dimethylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

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

The canonical SMILES for N-butan-2-yl-2-[8-(3,3-dimethylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is CCC(C)NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)CC(C)(C)C)CC2)C1=O.

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

The InChIKey is DQOICEXSKSTULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-6-19(2)26-21(30)17-28-18-29(20-10-8-7-9-11-20)25(23(28)32)12-14-27(15-13-25)22(31)16-24(3,4)5/h7-11,19H,6,12-18H2,1-5H3,(H,26,30).

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

N-butan-2-yl-2-[8-(3,3-dimethylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 442.60 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-2-[8-(3,3-dimethylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 3948472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).