methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid

C30H35N3O3 — CID 159087750

About methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid

methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid (PubChem CID 159087750) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid.

Molecular Properties

• Compound Name: methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid
• PubChem CID: 159087750
• Molecular Formula: C30H35N3O3
• Molecular Weight: 485.63 g/mol
• Exact Mass: 485.27
• IUPAC Name: methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid
• SMILES: C.O=C(O)C(CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C29H31N3O3.CH4/c33-26-28(32(22-30-26)25-14-8-3-9-15-25)16-19-31(20-17-28)21-18-29(27(34)35,23-10-4-1-5-11-23)24-12-6-2-7-13-24;/h1-15H,16-22H2,(H,30,33)(H,34,35);1H4
• InChIKey: KBQTVGMEURQXOC-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 72.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.63
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid?

The IUPAC name of methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid (CID 159087750) is methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid.

What is the SMILES notation for methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid?

The canonical SMILES for methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid is C.O=C(O)C(CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid?

The InChIKey is KBQTVGMEURQXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3.CH4/c33-26-28(32(22-30-26)25-14-8-3-9-15-25)16-19-31(20-17-28)21-18-29(27(34)35,23-10-4-1-5-11-23)24-12-6-2-7-13-24;/h1-15H,16-22H2,(H,30,33)(H,34,35);1H4.

What are the key properties of methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid?

methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid has a molecular weight of 485.63 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid is sourced from PubChem (CID 159087750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).