methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylbutanoate

C27H34N2O4 — CID 59999290

About methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylbutanoate

methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylbutanoate (PubChem CID 59999290) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylbutanoate.

Molecular Properties

• Compound Name: methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylbutanoate
• PubChem CID: 59999290
• Molecular Formula: C27H34N2O4
• Molecular Weight: 450.58 g/mol
• Exact Mass: 450.25
• IUPAC Name: methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylbutanoate
• SMILES: COC(=O)C(CCN1CCC2(CC1)CCN(Cc1ccc(OC)cc1)C2=O)c1ccccc1
• InChI: InChI=1S/C27H34N2O4/c1-32-23-10-8-21(9-11-23)20-29-19-15-27(26(29)31)13-17-28(18-14-27)16-12-24(25(30)33-2)22-6-4-3-5-7-22/h3-11,24H,12-20H2,1-2H3
• InChIKey: HWGLDVDBDBOOJD-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.58
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylbutanoate?

The IUPAC name of methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylbutanoate (CID 59999290) is methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylbutanoate.

What is the SMILES notation for methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylbutanoate?

The canonical SMILES for methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylbutanoate is COC(=O)C(CCN1CCC2(CC1)CCN(Cc1ccc(OC)cc1)C2=O)c1ccccc1.

What is the InChIKey of methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylbutanoate?

The InChIKey is HWGLDVDBDBOOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-32-23-10-8-21(9-11-23)20-29-19-15-27(26(29)31)13-17-28(18-14-27)16-12-24(25(30)33-2)22-6-4-3-5-7-22/h3-11,24H,12-20H2,1-2H3.

What are the key properties of methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylbutanoate?

methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylbutanoate has a molecular weight of 450.58 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylbutanoate is sourced from PubChem (CID 59999290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).