[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

C21H25NO4 — CID 27931453

IUPAC[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCCC(C)(C)NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO4/c1-4-20(2,3)22-18(23)15-26-19(24)21(25,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,25H,4,15H2,1-3H3,(H,22,23)
InChIKeyWRBMDGCDIHPZDN-UHFFFAOYSA-N
MW355.43 g/mol
LogP2.77
Rot. Bonds7

About [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 27931453) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID27931453
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCCC(C)(C)NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO4/c1-4-20(2,3)22-18(23)15-26-19(24)21(25,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,25H,4,15H2,1-3H3,(H,22,23)
InChIKeyWRBMDGCDIHPZDN-UHFFFAOYSA-N
XLogP2.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2675463
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-hydroxy-2,2-diphenylacetate
CID 2673402
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191540
[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2676355
[2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191567
[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2674174
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191557
[2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191528
2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43214922
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8841416
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191503
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191563

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (CID 27931453) is [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is CCC(C)(C)NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is WRBMDGCDIHPZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-20(2,3)22-18(23)15-26-19(24)21(25,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,25H,4,15H2,1-3H3,(H,22,23).
What are the key properties of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 355.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 27931453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).