3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide

C12H18Br2N2O2 — CID 62083451

IUPAC3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCc1cc(Br)c(Br)o1
InChIInChI=1S/C12H18Br2N2O2/c1-3-16(4-2)11(17)5-6-15-8-9-7-10(13)12(14)18-9/h7,15H,3-6,8H2,1-2H3
InChIKeySCTCTDXTBQOFNI-UHFFFAOYSA-N
MW382.10 g/mol
LogP3.15
Rot. Bonds7

About 3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide

3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide (PubChem CID 62083451) has the molecular formula C12H18Br2N2O2 and a molecular weight of 382.10 g/mol. Its IUPAC name is 3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide
PubChem CID62083451
Molecular FormulaC12H18Br2N2O2
Molecular Weight382.10 g/mol
Exact Mass379.97
IUPAC Name3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCc1cc(Br)c(Br)o1
InChIInChI=1S/C12H18Br2N2O2/c1-3-16(4-2)11(17)5-6-15-8-9-7-10(13)12(14)18-9/h7,15H,3-6,8H2,1-2H3
InChIKeySCTCTDXTBQOFNI-UHFFFAOYSA-N
XLogP3.15
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.10
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide (CID 62083451) is 3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNCc1cc(Br)c(Br)o1.
What is the InChIKey of 3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide?
The InChIKey is SCTCTDXTBQOFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2O2/c1-3-16(4-2)11(17)5-6-15-8-9-7-10(13)12(14)18-9/h7,15H,3-6,8H2,1-2H3.
What are the key properties of 3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide?
3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide has a molecular weight of 382.10 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 62083451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).