2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclopropylacetamide

C29H36N4O3 — CID 3410777

About 2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclopropylacetamide

2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclopropylacetamide (PubChem CID 3410777) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is 2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclopropylacetamide.

Molecular Properties

• Compound Name: 2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclopropylacetamide
• PubChem CID: 3410777
• Molecular Formula: C29H36N4O3
• Molecular Weight: 488.63 g/mol
• Exact Mass: 488.28
• IUPAC Name: 2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclopropylacetamide
• SMILES: CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NC2CC2)CN3c2ccccc2)cc1
• InChI: InChI=1S/C29H36N4O3/c1-28(2,3)22-11-9-21(10-12-22)26(35)31-17-15-29(16-18-31)27(36)32(19-25(34)30-23-13-14-23)20-33(29)24-7-5-4-6-8-24/h4-12,23H,13-20H2,1-3H3,(H,30,34)
• InChIKey: RZXYBTAVUCWNQM-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.63
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclopropylacetamide?

The IUPAC name of 2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclopropylacetamide (CID 3410777) is 2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclopropylacetamide.

What is the SMILES notation for 2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclopropylacetamide?

The canonical SMILES for 2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclopropylacetamide is CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NC2CC2)CN3c2ccccc2)cc1.

What is the InChIKey of 2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclopropylacetamide?

The InChIKey is RZXYBTAVUCWNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-28(2,3)22-11-9-21(10-12-22)26(35)31-17-15-29(16-18-31)27(36)32(19-25(34)30-23-13-14-23)20-33(29)24-7-5-4-6-8-24/h4-12,23H,13-20H2,1-3H3,(H,30,34).

What are the key properties of 2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclopropylacetamide?

2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclopropylacetamide has a molecular weight of 488.63 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 3410777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).