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

C26H33N3O2 — CID 90997026

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

3-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 90997026) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

• Compound Name: 3-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• PubChem CID: 90997026
• Molecular Formula: C26H33N3O2
• Molecular Weight: 419.57 g/mol
• Exact Mass: 419.26
• IUPAC Name: 3-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• SMILES: CCc1ccccc1NC(=O)N1CCC2(C=C(c3ccc(C(C)(C)C)cc3)NO2)CC1
• InChI: InChI=1S/C26H33N3O2/c1-5-19-8-6-7-9-22(19)27-24(30)29-16-14-26(15-17-29)18-23(28-31-26)20-10-12-21(13-11-20)25(2,3)4/h6-13,18,28H,5,14-17H2,1-4H3,(H,27,30)
• InChIKey: HDDDBXMLHNELGP-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 53.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.57
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 90997026) is 3-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

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

The canonical SMILES for 3-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is CCc1ccccc1NC(=O)N1CCC2(C=C(c3ccc(C(C)(C)C)cc3)NO2)CC1.

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

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

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

3-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 5.49, 3 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-(2-ethylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 90997026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).