N-(2-tert-butyl-6-methylphenyl)-3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide

C26H33N3O2 — CID 69323897

About N-(2-tert-butyl-6-methylphenyl)-3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide

N-(2-tert-butyl-6-methylphenyl)-3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide (PubChem CID 69323897) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-(2-tert-butyl-6-methylphenyl)-3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide.

Molecular Properties

• Compound Name: N-(2-tert-butyl-6-methylphenyl)-3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
• PubChem CID: 69323897
• Molecular Formula: C26H33N3O2
• Molecular Weight: 419.57 g/mol
• Exact Mass: 419.26
• IUPAC Name: N-(2-tert-butyl-6-methylphenyl)-3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
• SMILES: Cc1ccc(C2=NOC3(CCN(C(=O)Nc4c(C)cccc4C(C)(C)C)CC3)C2)cc1
• InChI: InChI=1S/C26H33N3O2/c1-18-9-11-20(12-10-18)22-17-26(31-28-22)13-15-29(16-14-26)24(30)27-23-19(2)7-6-8-21(23)25(3,4)5/h6-12H,13-17H2,1-5H3,(H,27,30)
• InChIKey: HMJPWYJCWUNCGL-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 53.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.57
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-6-methylphenyl)-3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?

The IUPAC name of N-(2-tert-butyl-6-methylphenyl)-3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide (CID 69323897) is N-(2-tert-butyl-6-methylphenyl)-3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide.

What is the SMILES notation for N-(2-tert-butyl-6-methylphenyl)-3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?

The canonical SMILES for N-(2-tert-butyl-6-methylphenyl)-3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide is Cc1ccc(C2=NOC3(CCN(C(=O)Nc4c(C)cccc4C(C)(C)C)CC3)C2)cc1.

What is the InChIKey of N-(2-tert-butyl-6-methylphenyl)-3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?

The InChIKey is HMJPWYJCWUNCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-18-9-11-20(12-10-18)22-17-26(31-28-22)13-15-29(16-14-26)24(30)27-23-19(2)7-6-8-21(23)25(3,4)5/h6-12H,13-17H2,1-5H3,(H,27,30).

What are the key properties of N-(2-tert-butyl-6-methylphenyl)-3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?

N-(2-tert-butyl-6-methylphenyl)-3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 5.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-tert-butyl-6-methylphenyl)-3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide is sourced from PubChem (CID 69323897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).