1-[tert-butyl(methyl)amino]propan-2-yl 2-hydroxy-2,2-diphenylacetate

C22H29NO3 — CID 2914823

IUPAC1-[tert-butyl(methyl)amino]propan-2-yl 2-hydroxy-2,2-diphenylacetate
SMILESCC(CN(C)C(C)(C)C)OC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO3/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
InChIKeyXCLBRBKORPURBG-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.58
Rot. Bonds6

About 1-[tert-butyl(methyl)amino]propan-2-yl 2-hydroxy-2,2-diphenylacetate

1-[tert-butyl(methyl)amino]propan-2-yl 2-hydroxy-2,2-diphenylacetate (PubChem CID 2914823) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[tert-butyl(methyl)amino]propan-2-yl 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name1-[tert-butyl(methyl)amino]propan-2-yl 2-hydroxy-2,2-diphenylacetate
PubChem CID2914823
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name1-[tert-butyl(methyl)amino]propan-2-yl 2-hydroxy-2,2-diphenylacetate
SMILESCC(CN(C)C(C)(C)C)OC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO3/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
InChIKeyXCLBRBKORPURBG-UHFFFAOYSA-N
XLogP3.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate
CID 24834806
tert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium chloride
CID 44658576
2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid
CID 114992186
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7277099
1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate
CID 67195129
propan-2-yl 2-hydroxy-2,3-diphenylpropanoate
CID 68875154
chloro 2-hydroxy-2,2-diphenylacetate
CID 67237911
methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate
CID 11609089
[(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
3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
CID 112754616

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(methyl)amino]propan-2-yl 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of 1-[tert-butyl(methyl)amino]propan-2-yl 2-hydroxy-2,2-diphenylacetate (CID 2914823) is 1-[tert-butyl(methyl)amino]propan-2-yl 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for 1-[tert-butyl(methyl)amino]propan-2-yl 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for 1-[tert-butyl(methyl)amino]propan-2-yl 2-hydroxy-2,2-diphenylacetate is CC(CN(C)C(C)(C)C)OC(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[tert-butyl(methyl)amino]propan-2-yl 2-hydroxy-2,2-diphenylacetate?
The InChIKey is XCLBRBKORPURBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/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.
What are the key properties of 1-[tert-butyl(methyl)amino]propan-2-yl 2-hydroxy-2,2-diphenylacetate?
1-[tert-butyl(methyl)amino]propan-2-yl 2-hydroxy-2,2-diphenylacetate has a molecular weight of 355.48 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(methyl)amino]propan-2-yl 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 2914823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).