2-[1-(5-bromofuran-2-yl)ethylamino]-N,4-dimethylpentanamide

C13H21BrN2O2 — CID 104652711

IUPAC2-[1-(5-bromofuran-2-yl)ethylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(C)c1ccc(Br)o1
InChIInChI=1S/C13H21BrN2O2/c1-8(2)7-10(13(17)15-4)16-9(3)11-5-6-12(14)18-11/h5-6,8-10,16H,7H2,1-4H3,(H,15,17)
InChIKeyHTHBKPKQBLZXHJ-UHFFFAOYSA-N
MW317.23 g/mol
LogP2.85
Rot. Bonds6

About 2-[1-(5-bromofuran-2-yl)ethylamino]-N,4-dimethylpentanamide

2-[1-(5-bromofuran-2-yl)ethylamino]-N,4-dimethylpentanamide (PubChem CID 104652711) 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,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[1-(5-bromofuran-2-yl)ethylamino]-N,4-dimethylpentanamide
PubChem CID104652711
Molecular FormulaC13H21BrN2O2
Molecular Weight317.23 g/mol
Exact Mass316.08
IUPAC Name2-[1-(5-bromofuran-2-yl)ethylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(C)c1ccc(Br)o1
InChIInChI=1S/C13H21BrN2O2/c1-8(2)7-10(13(17)15-4)16-9(3)11-5-6-12(14)18-11/h5-6,8-10,16H,7H2,1-4H3,(H,15,17)
InChIKeyHTHBKPKQBLZXHJ-UHFFFAOYSA-N
XLogP2.85
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(5-bromofuran-2-yl)prop-2-enoylamino]-N,4-dimethylpentanamide
CID 154775797
N,4-dimethyl-2-(1-thiophen-2-ylethylamino)pentanamide
CID 43750667
N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine
CID 104652163
methyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate
CID 104652541
2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 113437510
2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide
CID 104652645
methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
CID 43689060
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-N,4-dimethylpentanamide
CID 63067468
N,N,4-trimethyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanamide
CID 43675082
(2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol
CID 104980490
methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate
CID 103245777
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromofuran-2-yl)ethylamino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[1-(5-bromofuran-2-yl)ethylamino]-N,4-dimethylpentanamide (CID 104652711) is 2-[1-(5-bromofuran-2-yl)ethylamino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[1-(5-bromofuran-2-yl)ethylamino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[1-(5-bromofuran-2-yl)ethylamino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NC(C)c1ccc(Br)o1.
What is the InChIKey of 2-[1-(5-bromofuran-2-yl)ethylamino]-N,4-dimethylpentanamide?
The InChIKey is HTHBKPKQBLZXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2/c1-8(2)7-10(13(17)15-4)16-9(3)11-5-6-12(14)18-11/h5-6,8-10,16H,7H2,1-4H3,(H,15,17).
What are the key properties of 2-[1-(5-bromofuran-2-yl)ethylamino]-N,4-dimethylpentanamide?
2-[1-(5-bromofuran-2-yl)ethylamino]-N,4-dimethylpentanamide has a molecular weight of 317.23 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 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,4-dimethylpentanamide is sourced from PubChem (CID 104652711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).