2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide

C13H21BrN2O2 — CID 104652645

IUPAC2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(C)c1ccc(Br)o1
InChIInChI=1S/C13H21BrN2O2/c1-5-16(6-2)13(17)10(4)15-9(3)11-7-8-12(14)18-11/h7-10,15H,5-6H2,1-4H3
InChIKeyPQBJANNKGDQWKS-UHFFFAOYSA-N
MW317.23 g/mol
LogP2.95
Rot. Bonds6

About 2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide

2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide (PubChem CID 104652645) has the molecular formula C13H21BrN2O2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide
PubChem CID104652645
Molecular FormulaC13H21BrN2O2
Molecular Weight317.23 g/mol
Exact Mass316.08
IUPAC Name2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(C)c1ccc(Br)o1
InChIInChI=1S/C13H21BrN2O2/c1-5-16(6-2)13(17)10(4)15-9(3)11-7-8-12(14)18-11/h7-10,15H,5-6H2,1-4H3
InChIKeyPQBJANNKGDQWKS-UHFFFAOYSA-N
XLogP2.95
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate
CID 104652541
2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide
CID 43426627
N,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81405715
2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide
CID 107094033
(2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol
CID 104980490
2-[1-(2,6-difluorophenyl)ethylamino]-N,N-diethylpropanamide
CID 43739406
2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide
CID 43425684
N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine
CID 104652004
2-[1-(5-bromofuran-2-yl)ethylamino]-N,4-dimethylpentanamide
CID 104652711
3-(5-bromofuran-2-yl)-1,1-diethylurea
CID 108872969
N-[1-(5-bromofuran-2-yl)ethyl]hexan-2-amine
CID 104652943
N-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine
CID 104652938

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide?
The IUPAC name of 2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide (CID 104652645) is 2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NC(C)c1ccc(Br)o1.
What is the InChIKey of 2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide?
The InChIKey is PQBJANNKGDQWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2/c1-5-16(6-2)13(17)10(4)15-9(3)11-7-8-12(14)18-11/h7-10,15H,5-6H2,1-4H3.
What are the key properties of 2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide?
2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide has a molecular weight of 317.23 g/mol, XLogP of 2.95, 6 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,N-diethylpropanamide is sourced from PubChem (CID 104652645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).