2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium

C11H19N2O2+ — CID 7346584

IUPAC2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium
SMILESCc1cc(C(=O)NCC[NH+](C)C)c(C)o1
InChIInChI=1S/C11H18N2O2/c1-8-7-10(9(2)15-8)11(14)12-5-6-13(3)4/h7H,5-6H2,1-4H3,(H,12,14)/p+1
InChIKeyLXVLEUMNWRGTEO-UHFFFAOYSA-O
MW211.28 g/mol
LogP-0.23
Rot. Bonds4

About 2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium

2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium (PubChem CID 7346584) has the molecular formula C11H19N2O2+ and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium
PubChem CID7346584
Molecular FormulaC11H19N2O2+
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium
SMILESCc1cc(C(=O)NCC[NH+](C)C)c(C)o1
InChIInChI=1S/C11H18N2O2/c1-8-7-10(9(2)15-8)11(14)12-5-6-13(3)4/h7H,5-6H2,1-4H3,(H,12,14)/p+1
InChIKeyLXVLEUMNWRGTEO-UHFFFAOYSA-O
XLogP-0.23
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-chloroacetyl)amino]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 166429368
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide
CID 17165083
N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 71689766
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 121133032
N-(4-amino-4-sulfanylidenebutyl)-2,5-dimethylfuran-3-carboxamide
CID 62667359
2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide
CID 60653753
5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682762
N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 103861683
N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 30797202
N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide
CID 61127079
N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 25199546

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium?
The IUPAC name of 2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium (CID 7346584) is 2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium is Cc1cc(C(=O)NCC[NH+](C)C)c(C)o1.
What is the InChIKey of 2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium?
The InChIKey is LXVLEUMNWRGTEO-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H18N2O2/c1-8-7-10(9(2)15-8)11(14)12-5-6-13(3)4/h7H,5-6H2,1-4H3,(H,12,14)/p+1.
What are the key properties of 2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium?
2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium has a molecular weight of 211.28 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium is sourced from PubChem (CID 7346584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).