[3-(diethylamino)-2-hydroxypropyl] 2-ethoxy-2,2-diphenylacetate;hydrochloride

C23H32ClNO4 — CID 6603035

IUPAC[3-(diethylamino)-2-hydroxypropyl] 2-ethoxy-2,2-diphenylacetate;hydrochloride
SMILESCCOC(C(=O)OCC(O)CN(CC)CC)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H31NO4.ClH/c1-4-24(5-2)17-21(25)18-27-22(26)23(28-6-3,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16,21,25H,4-6,17-18H2,1-3H3;1H
InChIKeyDLVTZTBCSALIOB-UHFFFAOYSA-N
MW421.97 g/mol
LogP3.63
Rot. Bonds11

About [3-(diethylamino)-2-hydroxypropyl] 2-ethoxy-2,2-diphenylacetate;hydrochloride

[3-(diethylamino)-2-hydroxypropyl] 2-ethoxy-2,2-diphenylacetate;hydrochloride (PubChem CID 6603035) has the molecular formula C23H32ClNO4 and a molecular weight of 421.97 g/mol. Its IUPAC name is [3-(diethylamino)-2-hydroxypropyl] 2-ethoxy-2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name[3-(diethylamino)-2-hydroxypropyl] 2-ethoxy-2,2-diphenylacetate;hydrochloride
PubChem CID6603035
Molecular FormulaC23H32ClNO4
Molecular Weight421.97 g/mol
Exact Mass421.20
IUPAC Name[3-(diethylamino)-2-hydroxypropyl] 2-ethoxy-2,2-diphenylacetate;hydrochloride
SMILESCCOC(C(=O)OCC(O)CN(CC)CC)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H31NO4.ClH/c1-4-24(5-2)17-21(25)18-27-22(26)23(28-6-3,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16,21,25H,4-6,17-18H2,1-3H3;1H
InChIKeyDLVTZTBCSALIOB-UHFFFAOYSA-N
XLogP3.63
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.97
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol
CID 2327359
(1-ethylpiperidin-4-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrochloride
CID 57376749
butan-2-yl-[2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl]-ethylazanium chloride
CID 18002
2-[butyl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate
CID 17997
3-ethoxycarbonyl-3-phenylpentanoic acid
CID 175261723
ethyl 2-hydroxy-3-trityloxypropanoate
CID 139757366
[3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride
CID 138401907
ethyl 2-ethoxy-2-phenylbutanoate
CID 141059319
ethyl 2-phenoxy-2,2-diphenylacetate
CID 134961459
1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
CID 1353093
[(3R)-2-oxooxolan-3-yl] 2-ethoxy-2,2-diphenylacetate
CID 7683863
bis(2-methylpropyl) 2-ethyl-2-phenylpropanedioate
CID 118088367

Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)-2-hydroxypropyl] 2-ethoxy-2,2-diphenylacetate;hydrochloride?
The IUPAC name of [3-(diethylamino)-2-hydroxypropyl] 2-ethoxy-2,2-diphenylacetate;hydrochloride (CID 6603035) is [3-(diethylamino)-2-hydroxypropyl] 2-ethoxy-2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for [3-(diethylamino)-2-hydroxypropyl] 2-ethoxy-2,2-diphenylacetate;hydrochloride?
The canonical SMILES for [3-(diethylamino)-2-hydroxypropyl] 2-ethoxy-2,2-diphenylacetate;hydrochloride is CCOC(C(=O)OCC(O)CN(CC)CC)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of [3-(diethylamino)-2-hydroxypropyl] 2-ethoxy-2,2-diphenylacetate;hydrochloride?
The InChIKey is DLVTZTBCSALIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4.ClH/c1-4-24(5-2)17-21(25)18-27-22(26)23(28-6-3,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16,21,25H,4-6,17-18H2,1-3H3;1H.
What are the key properties of [3-(diethylamino)-2-hydroxypropyl] 2-ethoxy-2,2-diphenylacetate;hydrochloride?
[3-(diethylamino)-2-hydroxypropyl] 2-ethoxy-2,2-diphenylacetate;hydrochloride has a molecular weight of 421.97 g/mol, XLogP of 3.63, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)-2-hydroxypropyl] 2-ethoxy-2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 6603035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).