2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

C21H29NO3 — CID 97418076

About 2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (PubChem CID 97418076) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
• PubChem CID: 97418076
• Molecular Formula: C21H29NO3
• Molecular Weight: 343.47 g/mol
• Exact Mass: 343.21
• IUPAC Name: 2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
• SMILES: COC[C@H]1CC2(CCN(C(=O)CC3Cc4ccccc4C3)CC2)CO1
• InChI: InChI=1S/C21H29NO3/c1-24-14-19-13-21(15-25-19)6-8-22(9-7-21)20(23)12-16-10-17-4-2-3-5-18(17)11-16/h2-5,16,19H,6-15H2,1H3/t19-/m1/s1
• InChIKey: JIABPPJEAKHEJY-LJQANCHMSA-N
• XLogP: 2.84
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.47
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?

The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (CID 97418076) is 2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.

What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?

The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is COC[C@H]1CC2(CCN(C(=O)CC3Cc4ccccc4C3)CC2)CO1.

What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?

The InChIKey is JIABPPJEAKHEJY-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29NO3/c1-24-14-19-13-21(15-25-19)6-8-22(9-7-21)20(23)12-16-10-17-4-2-3-5-18(17)11-16/h2-5,16,19H,6-15H2,1H3/t19-/m1/s1.

What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?

2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 343.47 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 97418076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).