[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 4-bromobenzoate

C15H20BrNO5 — CID 2369060

IUPAC[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 4-bromobenzoate
SMILESCOCCN(CCOC)C(=O)COC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO5/c1-20-9-7-17(8-10-21-2)14(18)11-22-15(19)12-3-5-13(16)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeyVGLFNRRMNIKJGO-UHFFFAOYSA-N
MW374.23 g/mol
LogP1.73
Rot. Bonds9

About [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 4-bromobenzoate

[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 4-bromobenzoate (PubChem CID 2369060) has the molecular formula C15H20BrNO5 and a molecular weight of 374.23 g/mol. Its IUPAC name is [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 4-bromobenzoate.

Molecular Properties

Compound Name[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 4-bromobenzoate
PubChem CID2369060
Molecular FormulaC15H20BrNO5
Molecular Weight374.23 g/mol
Exact Mass373.05
IUPAC Name[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 4-bromobenzoate
SMILESCOCCN(CCOC)C(=O)COC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO5/c1-20-9-7-17(8-10-21-2)14(18)11-22-15(19)12-3-5-13(16)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeyVGLFNRRMNIKJGO-UHFFFAOYSA-N
XLogP1.73
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 4-bromobenzoate?
The IUPAC name of [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 4-bromobenzoate (CID 2369060) is [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 4-bromobenzoate.
What is the SMILES notation for [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 4-bromobenzoate?
The canonical SMILES for [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 4-bromobenzoate is COCCN(CCOC)C(=O)COC(=O)c1ccc(Br)cc1.
What is the InChIKey of [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 4-bromobenzoate?
The InChIKey is VGLFNRRMNIKJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO5/c1-20-9-7-17(8-10-21-2)14(18)11-22-15(19)12-3-5-13(16)6-4-12/h3-6H,7-11H2,1-2H3.
What are the key properties of [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 4-bromobenzoate?
[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 4-bromobenzoate has a molecular weight of 374.23 g/mol, XLogP of 1.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 4-bromobenzoate is sourced from PubChem (CID 2369060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).