2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

C23H32N4O4 — CID 31297546

About 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 31297546) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
• PubChem CID: 31297546
• Molecular Formula: C23H32N4O4
• Molecular Weight: 428.53 g/mol
• Exact Mass: 428.24
• IUPAC Name: 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
• SMILES: C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccccc1CN1CCOCC1)C2=O
• InChI: InChI=1S/C23H32N4O4/c1-17-6-4-5-9-23(17)21(29)27(22(30)25-23)16-20(28)24-14-18-7-2-3-8-19(18)15-26-10-12-31-13-11-26/h2-3,7-8,17H,4-6,9-16H2,1H3,(H,24,28)(H,25,30)/t17-,23-/m1/s1
• InChIKey: CVZVQAFIRWGZSI-UZUQRXQVSA-N
• XLogP: 1.64
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.53
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?

The IUPAC name of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (CID 31297546) is 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

What is the SMILES notation for 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?

The canonical SMILES for 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccccc1CN1CCOCC1)C2=O.

What is the InChIKey of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?

The InChIKey is CVZVQAFIRWGZSI-UZUQRXQVSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-17-6-4-5-9-23(17)21(29)27(22(30)25-23)16-20(28)24-14-18-7-2-3-8-19(18)15-26-10-12-31-13-11-26/h2-3,7-8,17H,4-6,9-16H2,1H3,(H,24,28)(H,25,30)/t17-,23-/m1/s1.

What are the key properties of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?

2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 428.53 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 31297546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).