3-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C28H35N5O3 — CID 3276961

About 3-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide

3-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 3276961) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 3-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: 3-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• PubChem CID: 3276961
• Molecular Formula: C28H35N5O3
• Molecular Weight: 489.62 g/mol
• Exact Mass: 489.27
• IUPAC Name: 3-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• SMILES: CC(C)c1ccc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)NC2CC2)CN3c2ccccc2)cc1
• InChI: InChI=1S/C28H35N5O3/c1-20(2)21-8-10-23(11-9-21)30-27(36)31-16-14-28(15-17-31)26(35)32(18-25(34)29-22-12-13-22)19-33(28)24-6-4-3-5-7-24/h3-11,20,22H,12-19H2,1-2H3,(H,29,34)(H,30,36)
• InChIKey: ADUUWZHXAQLYOV-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 84.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.62
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

The IUPAC name of 3-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 3276961) is 3-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

What is the SMILES notation for 3-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

The canonical SMILES for 3-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide is CC(C)c1ccc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)NC2CC2)CN3c2ccccc2)cc1.

What is the InChIKey of 3-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

The InChIKey is ADUUWZHXAQLYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-20(2)21-8-10-23(11-9-21)30-27(36)31-16-14-28(15-17-31)26(35)32(18-25(34)29-22-12-13-22)19-33(28)24-6-4-3-5-7-24/h3-11,20,22H,12-19H2,1-2H3,(H,29,34)(H,30,36).

What are the key properties of 3-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

3-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 3276961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).