[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate

C16H16BrNO5 — CID 2423206

IUPAC[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESCOc1ccc(CCNC(=O)COC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C16H16BrNO5/c1-21-12-4-2-11(3-5-12)8-9-18-15(19)10-22-16(20)13-6-7-14(17)23-13/h2-7H,8-10H2,1H3,(H,18,19)
InChIKeyMXZDTOYFXVGYLE-UHFFFAOYSA-N
MW382.21 g/mol
LogP2.57
Rot. Bonds7

About [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate (PubChem CID 2423206) has the molecular formula C16H16BrNO5 and a molecular weight of 382.21 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
PubChem CID2423206
Molecular FormulaC16H16BrNO5
Molecular Weight382.21 g/mol
Exact Mass381.02
IUPAC Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESCOc1ccc(CCNC(=O)COC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C16H16BrNO5/c1-21-12-4-2-11(3-5-12)8-9-18-15(19)10-22-16(20)13-6-7-14(17)23-13/h2-7H,8-10H2,1H3,(H,18,19)
InChIKeyMXZDTOYFXVGYLE-UHFFFAOYSA-N
XLogP2.57
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 8014074
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7893069
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
CID 2358005
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate
CID 9011270
[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 9201621
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 7500277
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573758
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 2376869
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluorobenzoate
CID 8612523
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386542
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2556909
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate
CID 7716846

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate (CID 2423206) is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate is COc1ccc(CCNC(=O)COC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The InChIKey is MXZDTOYFXVGYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO5/c1-21-12-4-2-11(3-5-12)8-9-18-15(19)10-22-16(20)13-6-7-14(17)23-13/h2-7H,8-10H2,1H3,(H,18,19).
What are the key properties of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate has a molecular weight of 382.21 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate is sourced from PubChem (CID 2423206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).