(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

C20H37NO7 — CID 6667269

IUPAC(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(=O)NCCOC)=C[C@@H](C(C)C)[C@@H]1CCOCCOCCO
InChIInChI=1S/C20H37NO7/c1-5-27-20-16(6-9-25-12-13-26-11-8-22)17(15(2)3)14-18(28-20)19(23)21-7-10-24-4/h14-17,20,22H,5-13H2,1-4H3,(H,21,23)/t16-,17-,20-/m0/s1
InChIKeyCSRISSDWUZNETE-ZWOKBUDYSA-N
MW403.52 g/mol
LogP1.33
Rot. Bonds15

About (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6667269) has the molecular formula C20H37NO7 and a molecular weight of 403.52 g/mol. Its IUPAC name is (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID6667269
Molecular FormulaC20H37NO7
Molecular Weight403.52 g/mol
Exact Mass403.26
IUPAC Name(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(=O)NCCOC)=C[C@@H](C(C)C)[C@@H]1CCOCCOCCO
InChIInChI=1S/C20H37NO7/c1-5-27-20-16(6-9-25-12-13-26-11-8-22)17(15(2)3)14-18(28-20)19(23)21-7-10-24-4/h14-17,20,22H,5-13H2,1-4H3,(H,21,23)/t16-,17-,20-/m0/s1
InChIKeyCSRISSDWUZNETE-ZWOKBUDYSA-N
XLogP1.33
TPSA95.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 6667269) is (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@H]1OC(C(=O)NCCOC)=C[C@@H](C(C)C)[C@@H]1CCOCCOCCO.
What is the InChIKey of (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is CSRISSDWUZNETE-ZWOKBUDYSA-N. The full InChI is InChI=1S/C20H37NO7/c1-5-27-20-16(6-9-25-12-13-26-11-8-22)17(15(2)3)14-18(28-20)19(23)21-7-10-24-4/h14-17,20,22H,5-13H2,1-4H3,(H,21,23)/t16-,17-,20-/m0/s1.
What are the key properties of (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 1.33, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6667269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).