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2-(diethylamino)ethyl 2-hydroxy-3-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate

C25H33NO3 — CID 24840421

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(diethylamino)ethyl 2-hydroxy-3-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate
SMILESCCN(CC)CCOC(=O)C(O)(Cc1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C25H33NO3/c1-3-26(4-2)16-17-29-24(27)25(28,19-20-10-6-5-7-11-20)23-15-14-21-12-8-9-13-22(21)18-23/h5-7,10-11,14-15,18,28H,3-4,8-9,12-13,16-17,19H2,1-2H3
InChIKeyTUZADEMAJRLSNB-UHFFFAOYSA-N
MW395.54 g/mol
LogP3.88
Rot. Bonds9

About 2-(diethylamino)ethyl 2-hydroxy-3-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate

2-(diethylamino)ethyl 2-hydroxy-3-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate (PubChem CID 24840421) has the molecular formula C25H33NO3 and a molecular weight of 395.54 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-hydroxy-3-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-hydroxy-3-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate
PubChem CID24840421
Molecular FormulaC25H33NO3
Molecular Weight395.54 g/mol
Exact Mass395.25
IUPAC Name2-(diethylamino)ethyl 2-hydroxy-3-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate
SMILESCCN(CC)CCOC(=O)C(O)(Cc1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C25H33NO3/c1-3-26(4-2)16-17-29-24(27)25(28,19-20-10-6-5-7-11-20)23-15-14-21-12-8-9-13-22(21)18-23/h5-7,10-11,14-15,18,28H,3-4,8-9,12-13,16-17,19H2,1-2H3
InChIKeyTUZADEMAJRLSNB-UHFFFAOYSA-N
XLogP3.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-hydroxy-3-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate?
The IUPAC name of 2-(diethylamino)ethyl 2-hydroxy-3-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate (CID 24840421) is 2-(diethylamino)ethyl 2-hydroxy-3-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-hydroxy-3-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate?
The canonical SMILES for 2-(diethylamino)ethyl 2-hydroxy-3-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate is CCN(CC)CCOC(=O)C(O)(Cc1ccccc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(diethylamino)ethyl 2-hydroxy-3-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate?
The InChIKey is TUZADEMAJRLSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO3/c1-3-26(4-2)16-17-29-24(27)25(28,19-20-10-6-5-7-11-20)23-15-14-21-12-8-9-13-22(21)18-23/h5-7,10-11,14-15,18,28H,3-4,8-9,12-13,16-17,19H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 2-hydroxy-3-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate?
2-(diethylamino)ethyl 2-hydroxy-3-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate has a molecular weight of 395.54 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-hydroxy-3-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate is sourced from PubChem (CID 24840421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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