3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide

C11H17BrN2O2 — CID 107093925

IUPAC3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide
SMILESCC(NCC(C)(C)C(N)=O)c1ccc(Br)o1
InChIInChI=1S/C11H17BrN2O2/c1-7(8-4-5-9(12)16-8)14-6-11(2,3)10(13)15/h4-5,7,14H,6H2,1-3H3,(H2,13,15)
InChIKeyQLVFHQJKTNKWSA-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.20
Rot. Bonds5

About 3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide

3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide (PubChem CID 107093925) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide
PubChem CID107093925
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide
SMILESCC(NCC(C)(C)C(N)=O)c1ccc(Br)o1
InChIInChI=1S/C11H17BrN2O2/c1-7(8-4-5-9(12)16-8)14-6-11(2,3)10(13)15/h4-5,7,14H,6H2,1-3H3,(H2,13,15)
InChIKeyQLVFHQJKTNKWSA-UHFFFAOYSA-N
XLogP2.20
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 104651972
1-N-[1-(5-bromofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 104652133
3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide
CID 97258604
2,2-dimethyl-3-(1-phenylethylamino)propanamide
CID 115667918
2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide
CID 115903334
methyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate
CID 104652541
1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol
CID 107093693
3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide
CID 113383872
3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 104653257
N-[1-(5-bromofuran-2-yl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 104652116
N-[1-(5-bromofuran-2-yl)ethyl]-2-methylprop-2-en-1-amine
CID 114615383
2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide
CID 107094033

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide (CID 107093925) is 3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide is CC(NCC(C)(C)C(N)=O)c1ccc(Br)o1.
What is the InChIKey of 3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide?
The InChIKey is QLVFHQJKTNKWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-7(8-4-5-9(12)16-8)14-6-11(2,3)10(13)15/h4-5,7,14H,6H2,1-3H3,(H2,13,15).
What are the key properties of 3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide?
3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide has a molecular weight of 289.17 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 107093925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).