tert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium chloride

C22H30ClNO3 — CID 44658576

IUPACtert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium chloride
SMILESCC(C[NH+](C)C(C)(C)C)OC(=O)C(O)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C22H29NO3.ClH/c1-17(16-23(5)21(2,3)4)26-20(24)22(25,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17,25H,16H2,1-5H3;1H
InChIKeyMUFKUJXHGBLXRV-UHFFFAOYSA-N
MW391.94 g/mol
LogP-0.83
Rot. Bonds6

About tert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium chloride

tert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium chloride (PubChem CID 44658576) has the molecular formula C22H30ClNO3 and a molecular weight of 391.94 g/mol. Its IUPAC name is tert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium chloride.

Molecular Properties

Compound Nametert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium chloride
PubChem CID44658576
Molecular FormulaC22H30ClNO3
Molecular Weight391.94 g/mol
Exact Mass391.19
IUPAC Nametert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium chloride
SMILESCC(C[NH+](C)C(C)(C)C)OC(=O)C(O)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C22H29NO3.ClH/c1-17(16-23(5)21(2,3)4)26-20(24)22(25,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17,25H,16H2,1-5H3;1H
InChIKeyMUFKUJXHGBLXRV-UHFFFAOYSA-N
XLogP-0.83
TPSA50.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[tert-butyl(methyl)amino]propan-2-yl 2-hydroxy-2,2-diphenylacetate
CID 2914823
[2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate
CID 24834806
1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate
CID 67195129
chloro 2-hydroxy-2,2-diphenylacetate
CID 67237911
cyanomethyl 2-hydroxy-2,2-diphenylacetate
CID 2672911
[(1S)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate
CID 67195730
[(1R)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate
CID 67197472
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2675463
(4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate
CID 145165282
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-hydroxy-2,2-diphenylacetate
CID 2673402
diethyl-[1-(2-hydroxy-2,2-diphenylacetyl)oxypropan-2-yl]-methylazanium iodide
CID 167311681
benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
CID 3480592

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium chloride?
The IUPAC name of tert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium chloride (CID 44658576) is tert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium chloride.
What is the SMILES notation for tert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium chloride?
The canonical SMILES for tert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium chloride is CC(C[NH+](C)C(C)(C)C)OC(=O)C(O)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of tert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium chloride?
The InChIKey is MUFKUJXHGBLXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3.ClH/c1-17(16-23(5)21(2,3)4)26-20(24)22(25,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17,25H,16H2,1-5H3;1H.
What are the key properties of tert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium chloride?
tert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium chloride has a molecular weight of 391.94 g/mol, XLogP of -0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium chloride is sourced from PubChem (CID 44658576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).