[2-(methoxymethyl)-4-(3-methoxypropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone

C25H40N2O5 — CID 70906365

About [2-(methoxymethyl)-4-(3-methoxypropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone

[2-(methoxymethyl)-4-(3-methoxypropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone (PubChem CID 70906365) has the molecular formula C25H40N2O5 and a molecular weight of 448.60 g/mol. Its IUPAC name is [2-(methoxymethyl)-4-(3-methoxypropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone.

Molecular Properties

• Compound Name: [2-(methoxymethyl)-4-(3-methoxypropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
• PubChem CID: 70906365
• Molecular Formula: C25H40N2O5
• Molecular Weight: 448.60 g/mol
• Exact Mass: 448.29
• IUPAC Name: [2-(methoxymethyl)-4-(3-methoxypropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
• SMILES: COCCCN1CC(COC)OC2(CCN(C(=O)c3ccc(OC(C)C)c(C)c3)CC2)C1
• InChI: InChI=1S/C25H40N2O5/c1-19(2)31-23-8-7-21(15-20(23)3)24(28)27-12-9-25(10-13-27)18-26(11-6-14-29-4)16-22(32-25)17-30-5/h7-8,15,19,22H,6,9-14,16-18H2,1-5H3
• InChIKey: GIEAMJRTOPSZPG-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 60.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.60
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-4-(3-methoxypropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone?

The IUPAC name of [2-(methoxymethyl)-4-(3-methoxypropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone (CID 70906365) is [2-(methoxymethyl)-4-(3-methoxypropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone.

What is the SMILES notation for [2-(methoxymethyl)-4-(3-methoxypropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone?

The canonical SMILES for [2-(methoxymethyl)-4-(3-methoxypropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone is COCCCN1CC(COC)OC2(CCN(C(=O)c3ccc(OC(C)C)c(C)c3)CC2)C1.

What is the InChIKey of [2-(methoxymethyl)-4-(3-methoxypropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone?

The InChIKey is GIEAMJRTOPSZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O5/c1-19(2)31-23-8-7-21(15-20(23)3)24(28)27-12-9-25(10-13-27)18-26(11-6-14-29-4)16-22(32-25)17-30-5/h7-8,15,19,22H,6,9-14,16-18H2,1-5H3.

What are the key properties of [2-(methoxymethyl)-4-(3-methoxypropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone?

[2-(methoxymethyl)-4-(3-methoxypropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone has a molecular weight of 448.60 g/mol, XLogP of 3.14, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(methoxymethyl)-4-(3-methoxypropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 70906365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).