[2-(dimethylamino)-2-phenylethyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride

C24H26ClNO3 — CID 24834807

IUPAC[2-(dimethylamino)-2-phenylethyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride
SMILESCN(C)C(COC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H25NO3.ClH/c1-25(2)22(19-12-6-3-7-13-19)18-28-23(26)24(27,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17,22,27H,18H2,1-2H3;1H
InChIKeyVSXQQPDIVOIITE-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.19
Rot. Bonds7

About [2-(dimethylamino)-2-phenylethyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride

[2-(dimethylamino)-2-phenylethyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride (PubChem CID 24834807) has the molecular formula C24H26ClNO3 and a molecular weight of 411.93 g/mol. Its IUPAC name is [2-(dimethylamino)-2-phenylethyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name[2-(dimethylamino)-2-phenylethyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride
PubChem CID24834807
Molecular FormulaC24H26ClNO3
Molecular Weight411.93 g/mol
Exact Mass411.16
IUPAC Name[2-(dimethylamino)-2-phenylethyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride
SMILESCN(C)C(COC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H25NO3.ClH/c1-25(2)22(19-12-6-3-7-13-19)18-28-23(26)24(27,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17,22,27H,18H2,1-2H3;1H
InChIKeyVSXQQPDIVOIITE-UHFFFAOYSA-N
XLogP4.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-phenylethyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride?
The IUPAC name of [2-(dimethylamino)-2-phenylethyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride (CID 24834807) is [2-(dimethylamino)-2-phenylethyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for [2-(dimethylamino)-2-phenylethyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride?
The canonical SMILES for [2-(dimethylamino)-2-phenylethyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride is CN(C)C(COC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of [2-(dimethylamino)-2-phenylethyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride?
The InChIKey is VSXQQPDIVOIITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3.ClH/c1-25(2)22(19-12-6-3-7-13-19)18-28-23(26)24(27,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17,22,27H,18H2,1-2H3;1H.
What are the key properties of [2-(dimethylamino)-2-phenylethyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride?
[2-(dimethylamino)-2-phenylethyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride has a molecular weight of 411.93 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-phenylethyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 24834807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).