3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-(4-oxo-1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]propanamide

C32H40N6O4 — CID 76732489

About 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-(4-oxo-1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]propanamide

3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-(4-oxo-1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]propanamide (PubChem CID 76732489) has the molecular formula C32H40N6O4 and a molecular weight of 572.71 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-(4-oxo-1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-(4-oxo-1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]propanamide
• PubChem CID: 76732489
• Molecular Formula: C32H40N6O4
• Molecular Weight: 572.71 g/mol
• Exact Mass: 572.31
• IUPAC Name: 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-(4-oxo-1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]propanamide
• SMILES: COc1ccc(CC(NC(=O)CCc2cnc[nH]2)C(=O)N2CCC3(CC2)C(=O)N(C(C)C)CN3c2ccccc2)cc1
• InChI: InChI=1S/C32H40N6O4/c1-23(2)37-22-38(26-7-5-4-6-8-26)32(31(37)41)15-17-36(18-16-32)30(40)28(19-24-9-12-27(42-3)13-10-24)35-29(39)14-11-25-20-33-21-34-25/h4-10,12-13,20-21,23,28H,11,14-19,22H2,1-3H3,(H,33,34)(H,35,39)
• InChIKey: OKMBTRZRNUSXJR-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 110.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.71
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-(4-oxo-1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]propanamide?

The IUPAC name of 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-(4-oxo-1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]propanamide (CID 76732489) is 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-(4-oxo-1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]propanamide.

What is the SMILES notation for 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-(4-oxo-1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]propanamide?

The canonical SMILES for 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-(4-oxo-1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]propanamide is COc1ccc(CC(NC(=O)CCc2cnc[nH]2)C(=O)N2CCC3(CC2)C(=O)N(C(C)C)CN3c2ccccc2)cc1.

What is the InChIKey of 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-(4-oxo-1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]propanamide?

The InChIKey is OKMBTRZRNUSXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O4/c1-23(2)37-22-38(26-7-5-4-6-8-26)32(31(37)41)15-17-36(18-16-32)30(40)28(19-24-9-12-27(42-3)13-10-24)35-29(39)14-11-25-20-33-21-34-25/h4-10,12-13,20-21,23,28H,11,14-19,22H2,1-3H3,(H,33,34)(H,35,39).

What are the key properties of 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-(4-oxo-1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]propanamide?

3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-(4-oxo-1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]propanamide has a molecular weight of 572.71 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-(4-oxo-1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]propanamide is sourced from PubChem (CID 76732489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).