2-[3-[[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]morpholin-4-yl]-N-propan-2-ylacetamide

C16H27N5O5 — CID 138007462

About 2-[3-[[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]morpholin-4-yl]-N-propan-2-ylacetamide

2-[3-[[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]morpholin-4-yl]-N-propan-2-ylacetamide (PubChem CID 138007462) has the molecular formula C16H27N5O5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[3-[[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]morpholin-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[3-[[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]morpholin-4-yl]-N-propan-2-ylacetamide
• PubChem CID: 138007462
• Molecular Formula: C16H27N5O5
• Molecular Weight: 369.42 g/mol
• Exact Mass: 369.20
• IUPAC Name: 2-[3-[[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]morpholin-4-yl]-N-propan-2-ylacetamide
• SMILES: CC(C)NC(=O)CN1CCOCC1CNC(=O)CN1C(=O)CN(C)C1=O
• InChI: InChI=1S/C16H27N5O5/c1-11(2)18-14(23)7-20-4-5-26-10-12(20)6-17-13(22)8-21-15(24)9-19(3)16(21)25/h11-12H,4-10H2,1-3H3,(H,17,22)(H,18,23)
• InChIKey: XXXYBTRTHLZQIJ-UHFFFAOYSA-N
• XLogP: -1.78
• TPSA: 111.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.42
LogP ≤ 5	-1.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]morpholin-4-yl]-N-propan-2-ylacetamide?

The IUPAC name of 2-[3-[[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]morpholin-4-yl]-N-propan-2-ylacetamide (CID 138007462) is 2-[3-[[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]morpholin-4-yl]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[3-[[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]morpholin-4-yl]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[3-[[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]morpholin-4-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCOCC1CNC(=O)CN1C(=O)CN(C)C1=O.

What is the InChIKey of 2-[3-[[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]morpholin-4-yl]-N-propan-2-ylacetamide?

The InChIKey is XXXYBTRTHLZQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O5/c1-11(2)18-14(23)7-20-4-5-26-10-12(20)6-17-13(22)8-21-15(24)9-19(3)16(21)25/h11-12H,4-10H2,1-3H3,(H,17,22)(H,18,23).

What are the key properties of 2-[3-[[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]morpholin-4-yl]-N-propan-2-ylacetamide?

2-[3-[[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]morpholin-4-yl]-N-propan-2-ylacetamide has a molecular weight of 369.42 g/mol, XLogP of -1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]morpholin-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 138007462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).