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

C24H28ClN3O2 — CID 69321279

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

3-(4-tert-butylphenyl)-N-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide (PubChem CID 69321279) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide.

Molecular Properties

• Compound Name: 3-(4-tert-butylphenyl)-N-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
• PubChem CID: 69321279
• Molecular Formula: C24H28ClN3O2
• Molecular Weight: 425.96 g/mol
• Exact Mass: 425.19
• IUPAC Name: 3-(4-tert-butylphenyl)-N-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
• SMILES: CC(C)(C)c1ccc(C2=NOC3(CCN(C(=O)Nc4ccccc4Cl)CC3)C2)cc1
• InChI: InChI=1S/C24H28ClN3O2/c1-23(2,3)18-10-8-17(9-11-18)21-16-24(30-27-21)12-14-28(15-13-24)22(29)26-20-7-5-4-6-19(20)25/h4-11H,12-16H2,1-3H3,(H,26,29)
• InChIKey: RQYBVOCFBUMWSH-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 53.93 Ų
• H-Bond Donors: 1
• 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	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-(4-tert-butylphenyl)-N-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide (CID 69321279) is 3-(4-tert-butylphenyl)-N-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide.

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

The canonical SMILES for 3-(4-tert-butylphenyl)-N-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide is CC(C)(C)c1ccc(C2=NOC3(CCN(C(=O)Nc4ccccc4Cl)CC3)C2)cc1.

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

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

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

3-(4-tert-butylphenyl)-N-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide has a molecular weight of 425.96 g/mol, XLogP of 5.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butylphenyl)-N-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide is sourced from PubChem (CID 69321279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).