N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide

C₁₈H₂₅NO₅ — CID 18583783

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide (PubChem CID 18583783) has the molecular formula C₁₈H₂₅NO₅ and a molecular weight of 335.40 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide
• PubChem CID: 18583783
• Molecular Formula: C₁₈H₂₅NO₅
• Molecular Weight: 335.40 g/mol
• Exact Mass: 335.17
• IUPAC Name: N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide
• SMILES: COc1cccc(C(=O)NCC2COC3(CCCCC3)O2)c1OC
• InChI: InChI=1S/C18H25NO5/c1-21-15-8-6-7-14(16(15)22-2)17(20)19-11-13-12-23-18(24-13)9-4-3-5-10-18/h6-8,13H,3-5,9-12H2,1-2H3,(H,19,20)
• InChIKey: BFXYYLHVBPRQNE-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 66.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.40
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide?

The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide (CID 18583783) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide.

What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide?

The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCC2COC3(CCCCC3)O2)c1OC.

What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide?

The InChIKey is BFXYYLHVBPRQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-21-15-8-6-7-14(16(15)22-2)17(20)19-11-13-12-23-18(24-13)9-4-3-5-10-18/h6-8,13H,3-5,9-12H2,1-2H3,(H,19,20).

What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide?

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide has a molecular weight of 335.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 18583783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 18583783 — identifiers, structure, computed properties (public domain)

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