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

C22H33N3O2 — CID 90748216

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

3-tert-butyl-N-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 90748216) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 3-tert-butyl-N-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

• Compound Name: 3-tert-butyl-N-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• PubChem CID: 90748216
• Molecular Formula: C22H33N3O2
• Molecular Weight: 371.53 g/mol
• Exact Mass: 371.26
• IUPAC Name: 3-tert-butyl-N-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• SMILES: CC(C)(C)C1=CC2(CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)ON1
• InChI: InChI=1S/C22H33N3O2/c1-20(2,3)16-7-9-17(10-8-16)23-19(26)25-13-11-22(12-14-25)15-18(24-27-22)21(4,5)6/h7-10,15,24H,11-14H2,1-6H3,(H,23,26)
• InChIKey: ISQPZAVFTQWLRO-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 53.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.53
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-tert-butyl-N-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 90748216) is 3-tert-butyl-N-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

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

The canonical SMILES for 3-tert-butyl-N-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is CC(C)(C)C1=CC2(CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)ON1.

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

The InChIKey is ISQPZAVFTQWLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-20(2,3)16-7-9-17(10-8-16)23-19(26)25-13-11-22(12-14-25)15-18(24-27-22)21(4,5)6/h7-10,15,24H,11-14H2,1-6H3,(H,23,26).

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

3-tert-butyl-N-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 4.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 90748216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).