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

C24H29N3O2 — CID 91553063

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

N-(4-tert-butylphenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 91553063) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• PubChem CID: 91553063
• Molecular Formula: C24H29N3O2
• Molecular Weight: 391.52 g/mol
• Exact Mass: 391.23
• IUPAC Name: N-(4-tert-butylphenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• SMILES: CC(C)(C)c1ccc(NC(=O)N2CCC3(C=C(c4ccccc4)NO3)CC2)cc1
• InChI: InChI=1S/C24H29N3O2/c1-23(2,3)19-9-11-20(12-10-19)25-22(28)27-15-13-24(14-16-27)17-21(26-29-24)18-7-5-4-6-8-18/h4-12,17,26H,13-16H2,1-3H3,(H,25,28)
• InChIKey: FOQBXQXQPGMTGV-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 53.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.52
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(4-tert-butylphenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 91553063) is N-(4-tert-butylphenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

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

The canonical SMILES for N-(4-tert-butylphenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CCC3(C=C(c4ccccc4)NO3)CC2)cc1.

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

The InChIKey is FOQBXQXQPGMTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-23(2,3)19-9-11-20(12-10-19)25-22(28)27-15-13-24(14-16-27)17-21(26-29-24)18-7-5-4-6-8-18/h4-12,17,26H,13-16H2,1-3H3,(H,25,28).

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

N-(4-tert-butylphenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 91553063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).