N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]oxan-3-yl]benzamide

C19H26N4O4 — CID 54644086

About N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]oxan-3-yl]benzamide

N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]oxan-3-yl]benzamide (PubChem CID 54644086) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]oxan-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]oxan-3-yl]benzamide
• PubChem CID: 54644086
• Molecular Formula: C19H26N4O4
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.20
• IUPAC Name: N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]oxan-3-yl]benzamide
• SMILES: COCc1cn(CC[C@H]2CC[C@H](NC(=O)c3ccccc3)[C@H](CO)O2)nn1
• InChI: InChI=1S/C19H26N4O4/c1-26-13-15-11-23(22-21-15)10-9-16-7-8-17(18(12-24)27-16)20-19(25)14-5-3-2-4-6-14/h2-6,11,16-18,24H,7-10,12-13H2,1H3,(H,20,25)/t16-,17+,18+/m1/s1
• InChIKey: ZUSQYVXAFWYMHW-SQNIBIBYSA-N
• XLogP: 1.15
• TPSA: 98.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]oxan-3-yl]benzamide?

The IUPAC name of N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]oxan-3-yl]benzamide (CID 54644086) is N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]oxan-3-yl]benzamide.

What is the SMILES notation for N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]oxan-3-yl]benzamide?

The canonical SMILES for N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]oxan-3-yl]benzamide is COCc1cn(CC[C@H]2CC[C@H](NC(=O)c3ccccc3)[C@H](CO)O2)nn1.

What is the InChIKey of N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]oxan-3-yl]benzamide?

The InChIKey is ZUSQYVXAFWYMHW-SQNIBIBYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-26-13-15-11-23(22-21-15)10-9-16-7-8-17(18(12-24)27-16)20-19(25)14-5-3-2-4-6-14/h2-6,11,16-18,24H,7-10,12-13H2,1H3,(H,20,25)/t16-,17+,18+/m1/s1.

What are the key properties of N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]oxan-3-yl]benzamide?

N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]oxan-3-yl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]oxan-3-yl]benzamide is sourced from PubChem (CID 54644086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).