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

C25H31N3O2 — CID 91269076

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

3-(4-tert-butylphenyl)-N-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 91269076) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

• Compound Name: 3-(4-tert-butylphenyl)-N-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• PubChem CID: 91269076
• Molecular Formula: C25H31N3O2
• Molecular Weight: 405.54 g/mol
• Exact Mass: 405.24
• IUPAC Name: 3-(4-tert-butylphenyl)-N-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• SMILES: Cc1ccc(NC(=O)N2CCC3(C=C(c4ccc(C(C)(C)C)cc4)NO3)CC2)cc1
• InChI: InChI=1S/C25H31N3O2/c1-18-5-11-21(12-6-18)26-23(29)28-15-13-25(14-16-28)17-22(27-30-25)19-7-9-20(10-8-19)24(2,3)4/h5-12,17,27H,13-16H2,1-4H3,(H,26,29)
• InChIKey: CCMLBMRZDGBDJP-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 53.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.54
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-(4-tert-butylphenyl)-N-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 91269076) is 3-(4-tert-butylphenyl)-N-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

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

The canonical SMILES for 3-(4-tert-butylphenyl)-N-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is Cc1ccc(NC(=O)N2CCC3(C=C(c4ccc(C(C)(C)C)cc4)NO3)CC2)cc1.

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

The InChIKey is CCMLBMRZDGBDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-18-5-11-21(12-6-18)26-23(29)28-15-13-25(14-16-28)17-22(27-30-25)19-7-9-20(10-8-19)24(2,3)4/h5-12,17,27H,13-16H2,1-4H3,(H,26,29).

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

3-(4-tert-butylphenyl)-N-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 5.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butylphenyl)-N-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 91269076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).