N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide

C27H32N2O4 — CID 45197563

About N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide

N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide (PubChem CID 45197563) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide.

Molecular Properties

• Compound Name: N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide
• PubChem CID: 45197563
• Molecular Formula: C27H32N2O4
• Molecular Weight: 448.56 g/mol
• Exact Mass: 448.24
• IUPAC Name: N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide
• SMILES: COc1ccccc1CN1CCC2(CCC(CNC(=O)C3CC(=O)c4ccccc43)O2)CC1
• InChI: InChI=1S/C27H32N2O4/c1-32-25-9-5-2-6-19(25)18-29-14-12-27(13-15-29)11-10-20(33-27)17-28-26(31)23-16-24(30)22-8-4-3-7-21(22)23/h2-9,20,23H,10-18H2,1H3,(H,28,31)
• InChIKey: SGAVVZLEKYUVKW-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.56
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide?

The IUPAC name of N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide (CID 45197563) is N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide.

What is the SMILES notation for N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide?

The canonical SMILES for N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide is COc1ccccc1CN1CCC2(CCC(CNC(=O)C3CC(=O)c4ccccc43)O2)CC1.

What is the InChIKey of N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide?

The InChIKey is SGAVVZLEKYUVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-32-25-9-5-2-6-19(25)18-29-14-12-27(13-15-29)11-10-20(33-27)17-28-26(31)23-16-24(30)22-8-4-3-7-21(22)23/h2-9,20,23H,10-18H2,1H3,(H,28,31).

What are the key properties of N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide?

N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide has a molecular weight of 448.56 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 45197563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).