methyl 8-(2,3-dihydro-1H-inden-2-yl)-1-[(3-methoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

C27H32N2O4 — CID 45207014

About methyl 8-(2,3-dihydro-1H-inden-2-yl)-1-[(3-methoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl 8-(2,3-dihydro-1H-inden-2-yl)-1-[(3-methoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 45207014) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is methyl 8-(2,3-dihydro-1H-inden-2-yl)-1-[(3-methoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

• Compound Name: methyl 8-(2,3-dihydro-1H-inden-2-yl)-1-[(3-methoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
• PubChem CID: 45207014
• Molecular Formula: C27H32N2O4
• Molecular Weight: 448.56 g/mol
• Exact Mass: 448.24
• IUPAC Name: methyl 8-(2,3-dihydro-1H-inden-2-yl)-1-[(3-methoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
• SMILES: COC(=O)C1CC(=O)N(Cc2cccc(OC)c2)C12CCN(C1Cc3ccccc3C1)CC2
• InChI: InChI=1S/C27H32N2O4/c1-32-23-9-5-6-19(14-23)18-29-25(30)17-24(26(31)33-2)27(29)10-12-28(13-11-27)22-15-20-7-3-4-8-21(20)16-22/h3-9,14,22,24H,10-13,15-18H2,1-2H3
• InChIKey: XHHNXXOMCYOXIF-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.56
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl 8-(2,3-dihydro-1H-inden-2-yl)-1-[(3-methoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?

The IUPAC name of methyl 8-(2,3-dihydro-1H-inden-2-yl)-1-[(3-methoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 45207014) is methyl 8-(2,3-dihydro-1H-inden-2-yl)-1-[(3-methoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.

What is the SMILES notation for methyl 8-(2,3-dihydro-1H-inden-2-yl)-1-[(3-methoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?

The canonical SMILES for methyl 8-(2,3-dihydro-1H-inden-2-yl)-1-[(3-methoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is COC(=O)C1CC(=O)N(Cc2cccc(OC)c2)C12CCN(C1Cc3ccccc3C1)CC2.

What is the InChIKey of methyl 8-(2,3-dihydro-1H-inden-2-yl)-1-[(3-methoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?

The InChIKey is XHHNXXOMCYOXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-32-23-9-5-6-19(14-23)18-29-25(30)17-24(26(31)33-2)27(29)10-12-28(13-11-27)22-15-20-7-3-4-8-21(20)16-22/h3-9,14,22,24H,10-13,15-18H2,1-2H3.

What are the key properties of methyl 8-(2,3-dihydro-1H-inden-2-yl)-1-[(3-methoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?

methyl 8-(2,3-dihydro-1H-inden-2-yl)-1-[(3-methoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 448.56 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 8-(2,3-dihydro-1H-inden-2-yl)-1-[(3-methoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 45207014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).