3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide

C24H31N3O2 — CID 118755019

About 3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide

3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide (PubChem CID 118755019) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
• PubChem CID: 118755019
• Molecular Formula: C24H31N3O2
• Molecular Weight: 393.53 g/mol
• Exact Mass: 393.24
• IUPAC Name: 3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
• SMILES: Cc1cc(C)cc(C(=O)NCC2CCC3(CCN(Cc4ccncc4)CC3)O2)c1
• InChI: InChI=1S/C24H31N3O2/c1-18-13-19(2)15-21(14-18)23(28)26-16-22-3-6-24(29-22)7-11-27(12-8-24)17-20-4-9-25-10-5-20/h4-5,9-10,13-15,22H,3,6-8,11-12,16-17H2,1-2H3,(H,26,28)
• InChIKey: ZHEGODCNZSKFDI-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.53
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?

The IUPAC name of 3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide (CID 118755019) is 3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide.

What is the SMILES notation for 3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?

The canonical SMILES for 3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide is Cc1cc(C)cc(C(=O)NCC2CCC3(CCN(Cc4ccncc4)CC3)O2)c1.

What is the InChIKey of 3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?

The InChIKey is ZHEGODCNZSKFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-13-19(2)15-21(14-18)23(28)26-16-22-3-6-24(29-22)7-11-27(12-8-24)17-20-4-9-25-10-5-20/h4-5,9-10,13-15,22H,3,6-8,11-12,16-17H2,1-2H3,(H,26,28).

What are the key properties of 3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?

3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide has a molecular weight of 393.53 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide is sourced from PubChem (CID 118755019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).