2-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-ethylacetamide

C37H43N3O10 — CID 175677390

About 2-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-ethylacetamide

2-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-ethylacetamide (PubChem CID 175677390) has the molecular formula C37H43N3O10 and a molecular weight of 689.76 g/mol. Its IUPAC name is 2-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-ethylacetamide.

Molecular Properties

• Compound Name: 2-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-ethylacetamide
• PubChem CID: 175677390
• Molecular Formula: C37H43N3O10
• Molecular Weight: 689.76 g/mol
• Exact Mass: 689.29
• IUPAC Name: 2-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-ethylacetamide
• SMILES: CCNC(=O)Cn1cc([C@@H]2O[C@H](COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)[C@@H](O)[C@H]2OCCOC)c(=O)[nH]c1=O
• InChI: InChI=1S/C37H43N3O10/c1-5-38-31(41)22-40-21-29(35(43)39-36(40)44)33-34(48-20-19-45-2)32(42)30(50-33)23-49-37(24-9-7-6-8-10-24,25-11-15-27(46-3)16-12-25)26-13-17-28(47-4)18-14-26/h6-18,21,30,32-34,42H,5,19-20,22-23H2,1-4H3,(H,38,41)(H,39,43,44)/t30-,32-,33+,34-/m1/s1
• InChIKey: BTADTOWTIAWVIS-SMEQTMGHSA-N
• XLogP: 2.53
• TPSA: 159.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.76
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-ethylacetamide?

The IUPAC name of 2-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-ethylacetamide (CID 175677390) is 2-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-ethylacetamide.

What is the SMILES notation for 2-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-ethylacetamide?

The canonical SMILES for 2-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-ethylacetamide is CCNC(=O)Cn1cc([C@@H]2O[C@H](COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)[C@@H](O)[C@H]2OCCOC)c(=O)[nH]c1=O.

What is the InChIKey of 2-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-ethylacetamide?

The InChIKey is BTADTOWTIAWVIS-SMEQTMGHSA-N. The full InChI is InChI=1S/C37H43N3O10/c1-5-38-31(41)22-40-21-29(35(43)39-36(40)44)33-34(48-20-19-45-2)32(42)30(50-33)23-49-37(24-9-7-6-8-10-24,25-11-15-27(46-3)16-12-25)26-13-17-28(47-4)18-14-26/h6-18,21,30,32-34,42H,5,19-20,22-23H2,1-4H3,(H,38,41)(H,39,43,44)/t30-,32-,33+,34-/m1/s1.

What are the key properties of 2-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-ethylacetamide?

2-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-ethylacetamide has a molecular weight of 689.76 g/mol, XLogP of 2.53, 16 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 175677390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).