methyl 2-acetamido-4-oxo-4-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]butanoate

C26H32N4O5 — CID 3275546

About methyl 2-acetamido-4-oxo-4-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]butanoate

methyl 2-acetamido-4-oxo-4-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]butanoate (PubChem CID 3275546) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is methyl 2-acetamido-4-oxo-4-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]butanoate.

Molecular Properties

• Compound Name: methyl 2-acetamido-4-oxo-4-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]butanoate
• PubChem CID: 3275546
• Molecular Formula: C26H32N4O5
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.24
• IUPAC Name: methyl 2-acetamido-4-oxo-4-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]butanoate
• SMILES: COC(=O)C(CC(=O)N1CCC2(CCN(C(=O)c3ccccc3-n3cccc3)CC2)C1)NC(C)=O
• InChI: InChI=1S/C26H32N4O5/c1-19(31)27-21(25(34)35-2)17-23(32)30-16-11-26(18-30)9-14-29(15-10-26)24(33)20-7-3-4-8-22(20)28-12-5-6-13-28/h3-8,12-13,21H,9-11,14-18H2,1-2H3,(H,27,31)
• InChIKey: RCYKVFARBNNZHJ-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 100.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-4-oxo-4-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]butanoate?

The IUPAC name of methyl 2-acetamido-4-oxo-4-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]butanoate (CID 3275546) is methyl 2-acetamido-4-oxo-4-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]butanoate.

What is the SMILES notation for methyl 2-acetamido-4-oxo-4-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]butanoate?

The canonical SMILES for methyl 2-acetamido-4-oxo-4-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]butanoate is COC(=O)C(CC(=O)N1CCC2(CCN(C(=O)c3ccccc3-n3cccc3)CC2)C1)NC(C)=O.

What is the InChIKey of methyl 2-acetamido-4-oxo-4-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]butanoate?

The InChIKey is RCYKVFARBNNZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-19(31)27-21(25(34)35-2)17-23(32)30-16-11-26(18-30)9-14-29(15-10-26)24(33)20-7-3-4-8-22(20)28-12-5-6-13-28/h3-8,12-13,21H,9-11,14-18H2,1-2H3,(H,27,31).

What are the key properties of methyl 2-acetamido-4-oxo-4-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]butanoate?

methyl 2-acetamido-4-oxo-4-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]butanoate has a molecular weight of 480.57 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-acetamido-4-oxo-4-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]butanoate is sourced from PubChem (CID 3275546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).