3-(4-methylphenyl)-N-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

C24H29N3O2 — CID 91172790

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

3-(4-methylphenyl)-N-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 91172790) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

• Compound Name: 3-(4-methylphenyl)-N-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• PubChem CID: 91172790
• Molecular Formula: C24H29N3O2
• Molecular Weight: 391.52 g/mol
• Exact Mass: 391.23
• IUPAC Name: 3-(4-methylphenyl)-N-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• SMILES: Cc1ccc(C2=CC3(CCN(C(=O)Nc4ccc(C(C)C)cc4)CC3)ON2)cc1
• InChI: InChI=1S/C24H29N3O2/c1-17(2)19-8-10-21(11-9-19)25-23(28)27-14-12-24(13-15-27)16-22(26-29-24)20-6-4-18(3)5-7-20/h4-11,16-17,26H,12-15H2,1-3H3,(H,25,28)
• InChIKey: SYLSLGVNPNZRCW-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 53.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.52
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-(4-methylphenyl)-N-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 91172790) is 3-(4-methylphenyl)-N-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

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

The canonical SMILES for 3-(4-methylphenyl)-N-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is Cc1ccc(C2=CC3(CCN(C(=O)Nc4ccc(C(C)C)cc4)CC3)ON2)cc1.

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

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

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

3-(4-methylphenyl)-N-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methylphenyl)-N-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 91172790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).