2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide

C11H17BrN2O2 — CID 107094033

IUPAC2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNC(C)c1ccc(Br)o1
InChIInChI=1S/C11H17BrN2O2/c1-4-14(3)11(15)7-13-8(2)9-5-6-10(12)16-9/h5-6,8,13H,4,7H2,1-3H3
InChIKeyMEEXZPJSCCRYBW-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.17
Rot. Bonds5

About 2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide

2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide (PubChem CID 107094033) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide
PubChem CID107094033
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNC(C)c1ccc(Br)o1
InChIInChI=1S/C11H17BrN2O2/c1-4-14(3)11(15)7-13-8(2)9-5-6-10(12)16-9/h5-6,8,13H,4,7H2,1-3H3
InChIKeyMEEXZPJSCCRYBW-UHFFFAOYSA-N
XLogP2.17
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
CID 81360039
N-ethyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
CID 81399721
N-[1-(5-bromofuran-2-yl)ethyl]-2-methylprop-2-en-1-amine
CID 114615383
N-ethyl-2-[1-(4-ethylphenyl)ethylamino]-N-methylacetamide
CID 60759691
2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide
CID 104652645
3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 104653257
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
CID 81379327
2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide
CID 113350546
N-ethyl-N-methyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]acetamide
CID 104926715
1-N-[1-(5-bromofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 104652133
4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol
CID 114331426
3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide
CID 107093925

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide (CID 107094033) is 2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNC(C)c1ccc(Br)o1.
What is the InChIKey of 2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide?
The InChIKey is MEEXZPJSCCRYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-4-14(3)11(15)7-13-8(2)9-5-6-10(12)16-9/h5-6,8,13H,4,7H2,1-3H3.
What are the key properties of 2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide?
2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide has a molecular weight of 289.17 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 107094033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).