(2S,3R,4R)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

C25H39NO8 — CID 6667117

IUPAC(2S,3R,4R)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(=O)N(C)CC(OC)OC)=C[C@@H](c2ccccc2)[C@H]1CCOCCOCCO
InChIInChI=1S/C25H39NO8/c1-5-33-25-20(11-13-31-15-16-32-14-12-27)21(19-9-7-6-8-10-19)17-22(34-25)24(28)26(2)18-23(29-3)30-4/h6-10,17,20-21,23,25,27H,5,11-16,18H2,1-4H3/t20-,21+,25+/m1/s1
InChIKeyNIIZAIAKIUXJGU-CZSZKKDXSA-N
MW481.59 g/mol
LogP2.16
Rot. Bonds16

About (2S,3R,4R)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

(2S,3R,4R)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6667117) has the molecular formula C25H39NO8 and a molecular weight of 481.59 g/mol. Its IUPAC name is (2S,3R,4R)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,3R,4R)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID6667117
Molecular FormulaC25H39NO8
Molecular Weight481.59 g/mol
Exact Mass481.27
IUPAC Name(2S,3R,4R)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(=O)N(C)CC(OC)OC)=C[C@@H](c2ccccc2)[C@H]1CCOCCOCCO
InChIInChI=1S/C25H39NO8/c1-5-33-25-20(11-13-31-15-16-32-14-12-27)21(19-9-7-6-8-10-19)17-22(34-25)24(28)26(2)18-23(29-3)30-4/h6-10,17,20-21,23,25,27H,5,11-16,18H2,1-4H3/t20-,21+,25+/m1/s1
InChIKeyNIIZAIAKIUXJGU-CZSZKKDXSA-N
XLogP2.16
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,3R,4R)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 6667117) is (2S,3R,4R)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,3R,4R)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,3R,4R)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@H]1OC(C(=O)N(C)CC(OC)OC)=C[C@@H](c2ccccc2)[C@H]1CCOCCOCCO.
What is the InChIKey of (2S,3R,4R)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is NIIZAIAKIUXJGU-CZSZKKDXSA-N. The full InChI is InChI=1S/C25H39NO8/c1-5-33-25-20(11-13-31-15-16-32-14-12-27)21(19-9-7-6-8-10-19)17-22(34-25)24(28)26(2)18-23(29-3)30-4/h6-10,17,20-21,23,25,27H,5,11-16,18H2,1-4H3/t20-,21+,25+/m1/s1.
What are the key properties of (2S,3R,4R)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,3R,4R)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 481.59 g/mol, XLogP of 2.16, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6667117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).