3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide

C10H15BrN2O2 — CID 60926484

IUPAC3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCc1ccc(Br)o1
InChIInChI=1S/C10H15BrN2O2/c1-13(2)10(14)5-6-12-7-8-3-4-9(11)15-8/h3-4,12H,5-7H2,1-2H3
InChIKeyMPRWIRFBIRYYSX-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.61
Rot. Bonds5

About 3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide

3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide (PubChem CID 60926484) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide
PubChem CID60926484
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCc1ccc(Br)o1
InChIInChI=1S/C10H15BrN2O2/c1-13(2)10(14)5-6-12-7-8-3-4-9(11)15-8/h3-4,12H,5-7H2,1-2H3
InChIKeyMPRWIRFBIRYYSX-UHFFFAOYSA-N
XLogP1.61
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.61
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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Related Compounds

4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride
CID 115595769
2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
CID 43720757
3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60926272
3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide
CID 62083451
2-[(5-bromofuran-2-yl)methylamino]acetamide
CID 16790036
4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43681973
3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60925397
tert-butyl N-[2-[(5-bromofuran-2-yl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245855
N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54873279
1-N-[(5-bromofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 28651868
3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide
CID 60926375
3-[(3-bromo-2,6-difluorophenyl)methylamino]-N,N-dimethylpropanamide
CID 106263370

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide (CID 60926484) is 3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNCc1ccc(Br)o1.
What is the InChIKey of 3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is MPRWIRFBIRYYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-13(2)10(14)5-6-12-7-8-3-4-9(11)15-8/h3-4,12H,5-7H2,1-2H3.
What are the key properties of 3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide?
3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 275.15 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 60926484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).