[2-(tert-butylamino)-2-oxoethyl] 2-benzoylbenzoate

C20H21NO4 — CID 2363875

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2-benzoylbenzoate
SMILESCC(C)(C)NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H21NO4/c1-20(2,3)21-17(22)13-25-19(24)16-12-8-7-11-15(16)18(23)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,21,22)
InChIKeyPWHAANMVODUBRQ-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.99
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl] 2-benzoylbenzoate

[2-(tert-butylamino)-2-oxoethyl] 2-benzoylbenzoate (PubChem CID 2363875) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2-benzoylbenzoate
PubChem CID2363875
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2-benzoylbenzoate
SMILESCC(C)(C)NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H21NO4/c1-20(2,3)21-17(22)13-25-19(24)16-12-8-7-11-15(16)18(23)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,21,22)
InChIKeyPWHAANMVODUBRQ-UHFFFAOYSA-N
XLogP2.99
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-benzoylbenzoate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-benzoylbenzoate (CID 2363875) is [2-(tert-butylamino)-2-oxoethyl] 2-benzoylbenzoate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2-benzoylbenzoate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2-benzoylbenzoate is CC(C)(C)NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2-benzoylbenzoate?
The InChIKey is PWHAANMVODUBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-20(2,3)21-17(22)13-25-19(24)16-12-8-7-11-15(16)18(23)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,21,22).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2-benzoylbenzoate?
[2-(tert-butylamino)-2-oxoethyl] 2-benzoylbenzoate has a molecular weight of 339.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 2-benzoylbenzoate is sourced from PubChem (CID 2363875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).