1-[2-[(3-ethyl-2-oxo-1,3-diazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione

C17H29N5O7 — CID 59141684

About 1-[2-[(3-ethyl-2-oxo-1,3-diazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione

1-[2-[(3-ethyl-2-oxo-1,3-diazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 59141684) has the molecular formula C17H29N5O7 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-[2-[(3-ethyl-2-oxo-1,3-diazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1-[2-[(3-ethyl-2-oxo-1,3-diazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 59141684
• Molecular Formula: C17H29N5O7
• Molecular Weight: 415.45 g/mol
• Exact Mass: 415.21
• IUPAC Name: 1-[2-[(3-ethyl-2-oxo-1,3-diazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
• SMILES: CCN1CCCN(COCCn2c(=O)n(CCO)c(=O)n(CCOC)c2=O)C1=O
• InChI: InChI=1S/C17H29N5O7/c1-3-18-5-4-6-19(14(18)24)13-29-12-9-22-16(26)20(7-10-23)15(25)21(17(22)27)8-11-28-2/h23H,3-13H2,1-2H3
• InChIKey: GVQCNQJFSJJZEB-UHFFFAOYSA-N
• XLogP: -2.07
• TPSA: 128.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.45
LogP ≤ 5	-2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-ethyl-2-oxo-1,3-diazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1-[2-[(3-ethyl-2-oxo-1,3-diazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 59141684) is 1-[2-[(3-ethyl-2-oxo-1,3-diazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione.

What is the SMILES notation for 1-[2-[(3-ethyl-2-oxo-1,3-diazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?

The canonical SMILES for 1-[2-[(3-ethyl-2-oxo-1,3-diazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione is CCN1CCCN(COCCn2c(=O)n(CCO)c(=O)n(CCOC)c2=O)C1=O.

What is the InChIKey of 1-[2-[(3-ethyl-2-oxo-1,3-diazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?

The InChIKey is GVQCNQJFSJJZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O7/c1-3-18-5-4-6-19(14(18)24)13-29-12-9-22-16(26)20(7-10-23)15(25)21(17(22)27)8-11-28-2/h23H,3-13H2,1-2H3.

What are the key properties of 1-[2-[(3-ethyl-2-oxo-1,3-diazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?

1-[2-[(3-ethyl-2-oxo-1,3-diazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 415.45 g/mol, XLogP of -2.07, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3-ethyl-2-oxo-1,3-diazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 59141684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).