2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-morpholin-4-ylethanone

C26H34N2O6 — CID 70136733

IUPAC2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc2c(c1)C[C@@H](NC[C@@H](O)c1ccc(O)c(CCO)c1)CC2)N1CCOCC1
InChIInChI=1S/C26H34N2O6/c29-10-7-20-13-19(3-6-24(20)30)25(31)16-27-22-4-1-18-2-5-23(15-21(18)14-22)34-17-26(32)28-8-11-33-12-9-28/h2-3,5-6,13,15,22,25,27,29-31H,1,4,7-12,14,16-17H2/t22-,25+/m0/s1
InChIKeyVJSGQMUPAXHUJI-WIOPSUGQSA-N
MW470.57 g/mol
LogP1.35
Rot. Bonds9

About 2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-morpholin-4-ylethanone

2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-morpholin-4-ylethanone (PubChem CID 70136733) has the molecular formula C26H34N2O6 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-morpholin-4-ylethanone
PubChem CID70136733
Molecular FormulaC26H34N2O6
Molecular Weight470.57 g/mol
Exact Mass470.24
IUPAC Name2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc2c(c1)C[C@@H](NC[C@@H](O)c1ccc(O)c(CCO)c1)CC2)N1CCOCC1
InChIInChI=1S/C26H34N2O6/c29-10-7-20-13-19(3-6-24(20)30)25(31)16-27-22-4-1-18-2-5-23(15-21(18)14-22)34-17-26(32)28-8-11-33-12-9-28/h2-3,5-6,13,15,22,25,27,29-31H,1,4,7-12,14,16-17H2/t22-,25+/m0/s1
InChIKeyVJSGQMUPAXHUJI-WIOPSUGQSA-N
XLogP1.35
TPSA111.49 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-morpholin-4-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-morpholin-4-ylethanone (CID 70136733) is 2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-morpholin-4-ylethanone is O=C(COc1ccc2c(c1)C[C@@H](NC[C@@H](O)c1ccc(O)c(CCO)c1)CC2)N1CCOCC1.
What is the InChIKey of 2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-morpholin-4-ylethanone?
The InChIKey is VJSGQMUPAXHUJI-WIOPSUGQSA-N. The full InChI is InChI=1S/C26H34N2O6/c29-10-7-20-13-19(3-6-24(20)30)25(31)16-27-22-4-1-18-2-5-23(15-21(18)14-22)34-17-26(32)28-8-11-33-12-9-28/h2-3,5-6,13,15,22,25,27,29-31H,1,4,7-12,14,16-17H2/t22-,25+/m0/s1.
What are the key properties of 2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-morpholin-4-ylethanone?
2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-morpholin-4-ylethanone has a molecular weight of 470.57 g/mol, XLogP of 1.35, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 70136733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).