2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide

C11H15BrN2O4 — CID 106853533

IUPAC2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide
SMILESCOCCNC(=O)CN(C)C(=O)c1ccoc1Br
InChIInChI=1S/C11H15BrN2O4/c1-14(7-9(15)13-4-6-17-2)11(16)8-3-5-18-10(8)12/h3,5H,4,6-7H2,1-2H3,(H,13,15)
InChIKeyBHMRVYKEQLPKKH-UHFFFAOYSA-N
MW319.16 g/mol
LogP0.88
Rot. Bonds6

About 2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide

2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide (PubChem CID 106853533) has the molecular formula C11H15BrN2O4 and a molecular weight of 319.16 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide
PubChem CID106853533
Molecular FormulaC11H15BrN2O4
Molecular Weight319.16 g/mol
Exact Mass318.02
IUPAC Name2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide
SMILESCOCCNC(=O)CN(C)C(=O)c1ccoc1Br
InChIInChI=1S/C11H15BrN2O4/c1-14(7-9(15)13-4-6-17-2)11(16)8-3-5-18-10(8)12/h3,5H,4,6-7H2,1-2H3,(H,13,15)
InChIKeyBHMRVYKEQLPKKH-UHFFFAOYSA-N
XLogP0.88
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 51328809
3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 82829175
2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 84589607
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-2-(methylamino)benzamide
CID 61377669
3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 107872407
4-chloro-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 51328813
2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide
CID 106441118
2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 61051517
5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51307832
3-bromo-2-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 106547925
2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide
CID 106852111
3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61109542

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide?
The IUPAC name of 2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide (CID 106853533) is 2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide is COCCNC(=O)CN(C)C(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide?
The InChIKey is BHMRVYKEQLPKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4/c1-14(7-9(15)13-4-6-17-2)11(16)8-3-5-18-10(8)12/h3,5H,4,6-7H2,1-2H3,(H,13,15).
What are the key properties of 2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide?
2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide has a molecular weight of 319.16 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide is sourced from PubChem (CID 106853533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).