(2S,3R,4R)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

C35H37ClN2O8 — CID 6670915

About (2S,3R,4R)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

(2S,3R,4R)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6670915) has the molecular formula C35H37ClN2O8 and a molecular weight of 649.14 g/mol. Its IUPAC name is (2S,3R,4R)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

• Compound Name: (2S,3R,4R)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 6670915
• Molecular Formula: C35H37ClN2O8
• Molecular Weight: 649.14 g/mol
• Exact Mass: 648.22
• IUPAC Name: (2S,3R,4R)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
• SMILES: CCO[C@H]1OC(C(=O)Nc2ccc(N3C(=O)c4ccc(Cl)cc4C3=O)c(C)c2)=C[C@@H](c2ccccc2)[C@H]1CCOCCOCCO
• InChI: InChI=1S/C35H37ClN2O8/c1-3-45-35-27(13-15-43-17-18-44-16-14-39)28(23-7-5-4-6-8-23)21-31(46-35)32(40)37-25-10-12-30(22(2)19-25)38-33(41)26-11-9-24(36)20-29(26)34(38)42/h4-12,19-21,27-28,35,39H,3,13-18H2,1-2H3,(H,37,40)/t27-,28+,35+/m1/s1
• InChIKey: IZYQGZYJIVOIKA-NUHOQHIVSA-N
• XLogP: 5.48
• TPSA: 123.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.14
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?

The IUPAC name of (2S,3R,4R)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 6670915) is (2S,3R,4R)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.

What is the SMILES notation for (2S,3R,4R)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?

The canonical SMILES for (2S,3R,4R)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@H]1OC(C(=O)Nc2ccc(N3C(=O)c4ccc(Cl)cc4C3=O)c(C)c2)=C[C@@H](c2ccccc2)[C@H]1CCOCCOCCO.

What is the InChIKey of (2S,3R,4R)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?

The InChIKey is IZYQGZYJIVOIKA-NUHOQHIVSA-N. The full InChI is InChI=1S/C35H37ClN2O8/c1-3-45-35-27(13-15-43-17-18-44-16-14-39)28(23-7-5-4-6-8-23)21-31(46-35)32(40)37-25-10-12-30(22(2)19-25)38-33(41)26-11-9-24(36)20-29(26)34(38)42/h4-12,19-21,27-28,35,39H,3,13-18H2,1-2H3,(H,37,40)/t27-,28+,35+/m1/s1.

What are the key properties of (2S,3R,4R)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?

(2S,3R,4R)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 649.14 g/mol, XLogP of 5.48, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4R)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6670915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).