N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide

C26H38N4O6 — CID 3297392

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide (PubChem CID 3297392) has the molecular formula C26H38N4O6 and a molecular weight of 502.61 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide.

Molecular Properties

• Compound Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
• PubChem CID: 3297392
• Molecular Formula: C26H38N4O6
• Molecular Weight: 502.61 g/mol
• Exact Mass: 502.28
• IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
• SMILES: CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O
• InChI: InChI=1S/C26H38N4O6/c1-3-35-21-17-20(29-12-14-34-15-13-29)22(36-4-2)16-19(21)27-23(31)18-30-24(32)26(28-25(30)33)10-8-6-5-7-9-11-26/h16-17H,3-15,18H2,1-2H3,(H,27,31)(H,28,33)
• InChIKey: RNTKNCPMHNPOFP-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 109.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.61
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?

The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide (CID 3297392) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide.

What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?

The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O.

What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?

The InChIKey is RNTKNCPMHNPOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O6/c1-3-35-21-17-20(29-12-14-34-15-13-29)22(36-4-2)16-19(21)27-23(31)18-30-24(32)26(28-25(30)33)10-8-6-5-7-9-11-26/h16-17H,3-15,18H2,1-2H3,(H,27,31)(H,28,33).

What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide has a molecular weight of 502.61 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide is sourced from PubChem (CID 3297392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).