N-[(2S,4aS,6S,7R,8S,8aS)-8-[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]oxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide

C36H37N3O8 — CID 163070388

About N-[(2S,4aS,6S,7R,8S,8aS)-8-[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]oxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide

N-[(2S,4aS,6S,7R,8S,8aS)-8-[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]oxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide (PubChem CID 163070388) has the molecular formula C36H37N3O8 and a molecular weight of 639.71 g/mol. Its IUPAC name is N-[(2S,4aS,6S,7R,8S,8aS)-8-[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]oxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S,4aS,6S,7R,8S,8aS)-8-[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]oxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
• PubChem CID: 163070388
• Molecular Formula: C36H37N3O8
• Molecular Weight: 639.71 g/mol
• Exact Mass: 639.26
• IUPAC Name: N-[(2S,4aS,6S,7R,8S,8aS)-8-[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]oxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
• SMILES: CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H]1O[C@@H](C)C(=O)NNC(=O)c1ccc2ccccc2c1
• InChI: InChI=1S/C36H37N3O8/c1-22(33(41)38-39-34(42)28-18-17-25-13-9-10-16-27(25)19-28)45-32-30(37-23(2)40)36(43-20-24-11-5-3-6-12-24)46-29-21-44-35(47-31(29)32)26-14-7-4-8-15-26/h3-19,22,29-32,35-36H,20-21H2,1-2H3,(H,37,40)(H,38,41)(H,39,42)/t22-,29-,30+,31+,32-,35-,36-/m0/s1
• InChIKey: HVOBNXMVASDBRD-HIWGLBOVSA-N
• XLogP: 3.94
• TPSA: 133.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	639.71
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4aS,6S,7R,8S,8aS)-8-[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]oxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?

The IUPAC name of N-[(2S,4aS,6S,7R,8S,8aS)-8-[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]oxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide (CID 163070388) is N-[(2S,4aS,6S,7R,8S,8aS)-8-[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]oxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide.

What is the SMILES notation for N-[(2S,4aS,6S,7R,8S,8aS)-8-[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]oxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?

The canonical SMILES for N-[(2S,4aS,6S,7R,8S,8aS)-8-[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]oxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide is CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H]1O[C@@H](C)C(=O)NNC(=O)c1ccc2ccccc2c1.

What is the InChIKey of N-[(2S,4aS,6S,7R,8S,8aS)-8-[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]oxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?

The InChIKey is HVOBNXMVASDBRD-HIWGLBOVSA-N. The full InChI is InChI=1S/C36H37N3O8/c1-22(33(41)38-39-34(42)28-18-17-25-13-9-10-16-27(25)19-28)45-32-30(37-23(2)40)36(43-20-24-11-5-3-6-12-24)46-29-21-44-35(47-31(29)32)26-14-7-4-8-15-26/h3-19,22,29-32,35-36H,20-21H2,1-2H3,(H,37,40)(H,38,41)(H,39,42)/t22-,29-,30+,31+,32-,35-,36-/m0/s1.

What are the key properties of N-[(2S,4aS,6S,7R,8S,8aS)-8-[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]oxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?

N-[(2S,4aS,6S,7R,8S,8aS)-8-[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]oxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide has a molecular weight of 639.71 g/mol, XLogP of 3.94, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,4aS,6S,7R,8S,8aS)-8-[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]oxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide is sourced from PubChem (CID 163070388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).