(1R,15S,16R,18R,21R,23S)-23-methoxy-8-(2-methoxyethyl)-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosane

C25H39NO9 — CID 101098856

IUPAC(1R,15S,16R,18R,21R,23S)-23-methoxy-8-(2-methoxyethyl)-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosane
SMILESCOCCN1CCOCCO[C@@H]2[C@@H](OCCOCC1)[C@@H](OC)O[C@@H]1CO[C@@H](c3ccccc3)O[C@@H]21
InChIInChI=1S/C25H39NO9/c1-27-11-8-26-9-12-29-14-16-31-22-21-20(18-33-24(35-21)19-6-4-3-5-7-19)34-25(28-2)23(22)32-17-15-30-13-10-26/h3-7,20-25H,8-18H2,1-2H3/t20-,21-,22+,23-,24-,25+/m1/s1
InChIKeyYJRDPPIZBKUOKF-YHYVJRSVSA-N
MW497.59 g/mol
LogP1.24
Rot. Bonds5

About (1R,15S,16R,18R,21R,23S)-23-methoxy-8-(2-methoxyethyl)-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosane

(1R,15S,16R,18R,21R,23S)-23-methoxy-8-(2-methoxyethyl)-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosane (PubChem CID 101098856) has the molecular formula C25H39NO9 and a molecular weight of 497.59 g/mol. Its IUPAC name is (1R,15S,16R,18R,21R,23S)-23-methoxy-8-(2-methoxyethyl)-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosane.

Molecular Properties

Compound Name(1R,15S,16R,18R,21R,23S)-23-methoxy-8-(2-methoxyethyl)-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosane
PubChem CID101098856
Molecular FormulaC25H39NO9
Molecular Weight497.59 g/mol
Exact Mass497.26
IUPAC Name(1R,15S,16R,18R,21R,23S)-23-methoxy-8-(2-methoxyethyl)-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosane
SMILESCOCCN1CCOCCO[C@@H]2[C@@H](OCCOCC1)[C@@H](OC)O[C@@H]1CO[C@@H](c3ccccc3)O[C@@H]21
InChIInChI=1S/C25H39NO9/c1-27-11-8-26-9-12-29-14-16-31-22-21-20(18-33-24(35-21)19-6-4-3-5-7-19)34-25(28-2)23(22)32-17-15-30-13-10-26/h3-7,20-25H,8-18H2,1-2H3/t20-,21-,22+,23-,24-,25+/m1/s1
InChIKeyYJRDPPIZBKUOKF-YHYVJRSVSA-N
XLogP1.24
TPSA86.31 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (1R,15S,16R,18R,21R,23S)-23-methoxy-8-(2-methoxyethyl)-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosane with MolForge

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Related Compounds

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CID 15954357
6-Methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine
CID 326201
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CID 302240
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CID 21586038
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CID 2825731
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(4aR,6R,7R,8S,8aR)-8-(ethoxymethoxy)-7-fluoro-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
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Frequently Asked Questions

What is the IUPAC name of (1R,15S,16R,18R,21R,23S)-23-methoxy-8-(2-methoxyethyl)-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosane?
The IUPAC name of (1R,15S,16R,18R,21R,23S)-23-methoxy-8-(2-methoxyethyl)-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosane (CID 101098856) is (1R,15S,16R,18R,21R,23S)-23-methoxy-8-(2-methoxyethyl)-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosane.
What is the SMILES notation for (1R,15S,16R,18R,21R,23S)-23-methoxy-8-(2-methoxyethyl)-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosane?
The canonical SMILES for (1R,15S,16R,18R,21R,23S)-23-methoxy-8-(2-methoxyethyl)-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosane is COCCN1CCOCCO[C@@H]2[C@@H](OCCOCC1)[C@@H](OC)O[C@@H]1CO[C@@H](c3ccccc3)O[C@@H]21.
What is the InChIKey of (1R,15S,16R,18R,21R,23S)-23-methoxy-8-(2-methoxyethyl)-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosane?
The InChIKey is YJRDPPIZBKUOKF-YHYVJRSVSA-N. The full InChI is InChI=1S/C25H39NO9/c1-27-11-8-26-9-12-29-14-16-31-22-21-20(18-33-24(35-21)19-6-4-3-5-7-19)34-25(28-2)23(22)32-17-15-30-13-10-26/h3-7,20-25H,8-18H2,1-2H3/t20-,21-,22+,23-,24-,25+/m1/s1.
What are the key properties of (1R,15S,16R,18R,21R,23S)-23-methoxy-8-(2-methoxyethyl)-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosane?
(1R,15S,16R,18R,21R,23S)-23-methoxy-8-(2-methoxyethyl)-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosane has a molecular weight of 497.59 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,15S,16R,18R,21R,23S)-23-methoxy-8-(2-methoxyethyl)-18-phenyl-2,5,11,14,17,19,22-heptaoxa-8-azatricyclo[13.8.0.016,21]tricosane is sourced from PubChem (CID 101098856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).