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

C26H33N3O2 — CID 91205202

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

3-(4-tert-butylphenyl)-N-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 91205202) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

• Compound Name: 3-(4-tert-butylphenyl)-N-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• PubChem CID: 91205202
• Molecular Formula: C26H33N3O2
• Molecular Weight: 419.57 g/mol
• Exact Mass: 419.26
• IUPAC Name: 3-(4-tert-butylphenyl)-N-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• SMILES: Cc1ccc(CNC(=O)N2CCC3(C=C(c4ccc(C(C)(C)C)cc4)NO3)CC2)cc1
• InChI: InChI=1S/C26H33N3O2/c1-19-5-7-20(8-6-19)18-27-24(30)29-15-13-26(14-16-29)17-23(28-31-26)21-9-11-22(12-10-21)25(2,3)4/h5-12,17,28H,13-16,18H2,1-4H3,(H,27,30)
• InChIKey: DVCHCZFYTQOMQD-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 53.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.57
LogP ≤ 5	4.91
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-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?

The IUPAC name of 3-(4-tert-butylphenyl)-N-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 91205202) is 3-(4-tert-butylphenyl)-N-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

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

The canonical SMILES for 3-(4-tert-butylphenyl)-N-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is Cc1ccc(CNC(=O)N2CCC3(C=C(c4ccc(C(C)(C)C)cc4)NO3)CC2)cc1.

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

The InChIKey is DVCHCZFYTQOMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-19-5-7-20(8-6-19)18-27-24(30)29-15-13-26(14-16-29)17-23(28-31-26)21-9-11-22(12-10-21)25(2,3)4/h5-12,17,28H,13-16,18H2,1-4H3,(H,27,30).

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

3-(4-tert-butylphenyl)-N-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.91, 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-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 91205202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).