[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-bromobenzoyl)amino]acetate

C20H21BrN2O4 — CID 2443235

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-bromobenzoyl)amino]acetate
SMILESCC(C)N(C(=O)COC(=O)CNC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C20H21BrN2O4/c1-14(2)23(17-6-4-3-5-7-17)18(24)13-27-19(25)12-22-20(26)15-8-10-16(21)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,26)
InChIKeyXVTQBHHEWQRNIK-UHFFFAOYSA-N
MW433.30 g/mol
LogP3.16
Rot. Bonds7

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-bromobenzoyl)amino]acetate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-bromobenzoyl)amino]acetate (PubChem CID 2443235) has the molecular formula C20H21BrN2O4 and a molecular weight of 433.30 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-bromobenzoyl)amino]acetate
PubChem CID2443235
Molecular FormulaC20H21BrN2O4
Molecular Weight433.30 g/mol
Exact Mass432.07
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-bromobenzoyl)amino]acetate
SMILESCC(C)N(C(=O)COC(=O)CNC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C20H21BrN2O4/c1-14(2)23(17-6-4-3-5-7-17)18(24)13-27-19(25)12-22-20(26)15-8-10-16(21)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,26)
InChIKeyXVTQBHHEWQRNIK-UHFFFAOYSA-N
XLogP3.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-bromobenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-bromobenzoyl)amino]acetate (CID 2443235) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-bromobenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-bromobenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-bromobenzoyl)amino]acetate is CC(C)N(C(=O)COC(=O)CNC(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-bromobenzoyl)amino]acetate?
The InChIKey is XVTQBHHEWQRNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O4/c1-14(2)23(17-6-4-3-5-7-17)18(24)13-27-19(25)12-22-20(26)15-8-10-16(21)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,26).
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-bromobenzoyl)amino]acetate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-bromobenzoyl)amino]acetate has a molecular weight of 433.30 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-bromobenzoyl)amino]acetate is sourced from PubChem (CID 2443235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).