methyl 3-phenyl-2-[[2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxyacetyl]amino]propanoate

C25H33N3O7 — CID 46607997

About methyl 3-phenyl-2-[[2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxyacetyl]amino]propanoate

methyl 3-phenyl-2-[[2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxyacetyl]amino]propanoate (PubChem CID 46607997) has the molecular formula C25H33N3O7 and a molecular weight of 487.55 g/mol. Its IUPAC name is methyl 3-phenyl-2-[[2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxyacetyl]amino]propanoate.

Molecular Properties

• Compound Name: methyl 3-phenyl-2-[[2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxyacetyl]amino]propanoate
• PubChem CID: 46607997
• Molecular Formula: C25H33N3O7
• Molecular Weight: 487.55 g/mol
• Exact Mass: 487.23
• IUPAC Name: methyl 3-phenyl-2-[[2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxyacetyl]amino]propanoate
• SMILES: COC(=O)C(Cc1ccccc1)NC(=O)COC(=O)CN1C(=O)NC2(CC(C)CC(C)(C)C2)C1=O
• InChI: InChI=1S/C25H33N3O7/c1-16-11-24(2,3)15-25(12-16)22(32)28(23(33)27-25)13-20(30)35-14-19(29)26-18(21(31)34-4)10-17-8-6-5-7-9-17/h5-9,16,18H,10-15H2,1-4H3,(H,26,29)(H,27,33)
• InChIKey: WVZAXXKSWUVQJC-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 131.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.55
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-[[2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxyacetyl]amino]propanoate?

The IUPAC name of methyl 3-phenyl-2-[[2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxyacetyl]amino]propanoate (CID 46607997) is methyl 3-phenyl-2-[[2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxyacetyl]amino]propanoate.

What is the SMILES notation for methyl 3-phenyl-2-[[2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxyacetyl]amino]propanoate?

The canonical SMILES for methyl 3-phenyl-2-[[2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxyacetyl]amino]propanoate is COC(=O)C(Cc1ccccc1)NC(=O)COC(=O)CN1C(=O)NC2(CC(C)CC(C)(C)C2)C1=O.

What is the InChIKey of methyl 3-phenyl-2-[[2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxyacetyl]amino]propanoate?

The InChIKey is WVZAXXKSWUVQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O7/c1-16-11-24(2,3)15-25(12-16)22(32)28(23(33)27-25)13-20(30)35-14-19(29)26-18(21(31)34-4)10-17-8-6-5-7-9-17/h5-9,16,18H,10-15H2,1-4H3,(H,26,29)(H,27,33).

What are the key properties of methyl 3-phenyl-2-[[2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxyacetyl]amino]propanoate?

methyl 3-phenyl-2-[[2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxyacetyl]amino]propanoate has a molecular weight of 487.55 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-phenyl-2-[[2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxyacetyl]amino]propanoate is sourced from PubChem (CID 46607997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).