[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate

C17H18BrNO6 — CID 7456674

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
SMILESCCOc1c(Br)cc(C(=O)OCC(=O)NCc2ccco2)cc1OC
InChIInChI=1S/C17H18BrNO6/c1-3-23-16-13(18)7-11(8-14(16)22-2)17(21)25-10-15(20)19-9-12-5-4-6-24-12/h4-8H,3,9-10H2,1-2H3,(H,19,20)
InChIKeyFJDZCDNEWBGBLI-UHFFFAOYSA-N
MW412.24 g/mol
LogP2.92
Rot. Bonds8

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate (PubChem CID 7456674) has the molecular formula C17H18BrNO6 and a molecular weight of 412.24 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
PubChem CID7456674
Molecular FormulaC17H18BrNO6
Molecular Weight412.24 g/mol
Exact Mass411.03
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
SMILESCCOc1c(Br)cc(C(=O)OCC(=O)NCc2ccco2)cc1OC
InChIInChI=1S/C17H18BrNO6/c1-3-23-16-13(18)7-11(8-14(16)22-2)17(21)25-10-15(20)19-9-12-5-4-6-24-12/h4-8H,3,9-10H2,1-2H3,(H,19,20)
InChIKeyFJDZCDNEWBGBLI-UHFFFAOYSA-N
XLogP2.92
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 35863456
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 8848070
[2-(methylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 8634729
[2-(2-methylpropylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 8634730
[2-(carbamoylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 8634732
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 42486611
3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide
CID 55614668
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 8848079
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 30031761
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 38404664
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629968
2-(2-bromo-4,5-diethoxyphenyl)-N-(furan-2-ylmethyl)acetamide
CID 51204584

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate (CID 7456674) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate is CCOc1c(Br)cc(C(=O)OCC(=O)NCc2ccco2)cc1OC.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate?
The InChIKey is FJDZCDNEWBGBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO6/c1-3-23-16-13(18)7-11(8-14(16)22-2)17(21)25-10-15(20)19-9-12-5-4-6-24-12/h4-8H,3,9-10H2,1-2H3,(H,19,20).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate has a molecular weight of 412.24 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate is sourced from PubChem (CID 7456674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).