[2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate

C24H25NO3 — CID 24834806

IUPAC[2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCN(C)CC(OC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO3/c1-25(2)18-22(19-12-6-3-7-13-19)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
InChIKeyDLCLQPSAMLSUDP-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.77
Rot. Bonds7

About [2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate

[2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 24834806) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is [2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID24834806
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name[2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCN(C)CC(OC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO3/c1-25(2)18-22(19-12-6-3-7-13-19)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
InChIKeyDLCLQPSAMLSUDP-UHFFFAOYSA-N
XLogP3.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[tert-butyl(methyl)amino]propan-2-yl 2-hydroxy-2,2-diphenylacetate
CID 2914823
[2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride
CID 3065816
[(1S)-2-(dimethylamino)-1-phenylethyl] 1H-pyrazole-5-carboxylate
CID 141176426
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-hydroxy-2,2-diphenylacetate
CID 2673402
benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
CID 3480592
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367
1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea
CID 78880258
tert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium chloride
CID 44658576
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2675463
[2-(diethylamino)-1-phenylethyl] 4-tert-butylbenzoate;hydrochloride
CID 24835628
4-[2-(dimethylamino)-1-phenylethoxy]-3-methoxybenzoic acid
CID 121407546
[(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] acetate
CID 14059972

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate (CID 24834806) is [2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate is CN(C)CC(OC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is DLCLQPSAMLSUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-25(2)18-22(19-12-6-3-7-13-19)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.
What are the key properties of [2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate?
[2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 375.47 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 24834806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).