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

C24H28ClN3O2 — CID 91597306

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

3-(4-tert-butylphenyl)-N-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 91597306) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

• Compound Name: 3-(4-tert-butylphenyl)-N-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• PubChem CID: 91597306
• Molecular Formula: C24H28ClN3O2
• Molecular Weight: 425.96 g/mol
• Exact Mass: 425.19
• IUPAC Name: 3-(4-tert-butylphenyl)-N-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• SMILES: CC(C)(C)c1ccc(C2=CC3(CCN(C(=O)Nc4ccc(Cl)cc4)CC3)ON2)cc1
• InChI: InChI=1S/C24H28ClN3O2/c1-23(2,3)18-6-4-17(5-7-18)21-16-24(30-27-21)12-14-28(15-13-24)22(29)26-20-10-8-19(25)9-11-20/h4-11,16,27H,12-15H2,1-3H3,(H,26,29)
• InChIKey: CFMFFRUBHDDHGF-UHFFFAOYSA-N
• XLogP: 5.58
• 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	425.96
LogP ≤ 5	5.58
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-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?

The IUPAC name of 3-(4-tert-butylphenyl)-N-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 91597306) is 3-(4-tert-butylphenyl)-N-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

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

The canonical SMILES for 3-(4-tert-butylphenyl)-N-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is CC(C)(C)c1ccc(C2=CC3(CCN(C(=O)Nc4ccc(Cl)cc4)CC3)ON2)cc1.

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

The InChIKey is CFMFFRUBHDDHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-23(2,3)18-6-4-17(5-7-18)21-16-24(30-27-21)12-14-28(15-13-24)22(29)26-20-10-8-19(25)9-11-20/h4-11,16,27H,12-15H2,1-3H3,(H,26,29).

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

3-(4-tert-butylphenyl)-N-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 425.96 g/mol, XLogP of 5.58, 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-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 91597306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).