[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate

C18H18BrNO4 — CID 2388088

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESCOc1ccc(CNC(=O)COC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H18BrNO4/c1-23-16-8-4-14(5-9-16)11-20-17(21)12-24-18(22)10-13-2-6-15(19)7-3-13/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyUOONASQIVIRWPG-UHFFFAOYSA-N
MW392.25 g/mol
LogP2.86
Rot. Bonds7

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate (PubChem CID 2388088) has the molecular formula C18H18BrNO4 and a molecular weight of 392.25 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate
PubChem CID2388088
Molecular FormulaC18H18BrNO4
Molecular Weight392.25 g/mol
Exact Mass391.04
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESCOc1ccc(CNC(=O)COC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H18BrNO4/c1-23-16-8-4-14(5-9-16)11-20-17(21)12-24-18(22)10-13-2-6-15(19)7-3-13/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyUOONASQIVIRWPG-UHFFFAOYSA-N
XLogP2.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate (CID 2388088) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate is COc1ccc(CNC(=O)COC(=O)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
The InChIKey is UOONASQIVIRWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO4/c1-23-16-8-4-14(5-9-16)11-20-17(21)12-24-18(22)10-13-2-6-15(19)7-3-13/h2-9H,10-12H2,1H3,(H,20,21).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate has a molecular weight of 392.25 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate is sourced from PubChem (CID 2388088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).