[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone

C19H32N2O3 — CID 131684868

About [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone

[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone (PubChem CID 131684868) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone.

Molecular Properties

• Compound Name: [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
• PubChem CID: 131684868
• Molecular Formula: C19H32N2O3
• Molecular Weight: 336.48 g/mol
• Exact Mass: 336.24
• IUPAC Name: [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
• SMILES: COCC1CC2(CCN(C(=O)C3[C@H]4COC[C@@H]34)CC2)CN1C(C)C
• InChI: InChI=1S/C19H32N2O3/c1-13(2)21-12-19(8-14(21)9-23-3)4-6-20(7-5-19)18(22)17-15-10-24-11-16(15)17/h13-17H,4-12H2,1-3H3/t14?,15-,16+,17?
• InChIKey: IEDKZLWKJJNSTP-HPZPOOBXSA-N
• XLogP: 1.62
• TPSA: 42.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.48
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?

The IUPAC name of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone (CID 131684868) is [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone.

What is the SMILES notation for [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?

The canonical SMILES for [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone is COCC1CC2(CCN(C(=O)C3[C@H]4COC[C@@H]34)CC2)CN1C(C)C.

What is the InChIKey of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?

The InChIKey is IEDKZLWKJJNSTP-HPZPOOBXSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-13(2)21-12-19(8-14(21)9-23-3)4-6-20(7-5-19)18(22)17-15-10-24-11-16(15)17/h13-17H,4-12H2,1-3H3/t14?,15-,16+,17?.

What are the key properties of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone?

[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone has a molecular weight of 336.48 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone is sourced from PubChem (CID 131684868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).