N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide

C10H14N2O6 — CID 115902264

IUPACN-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide
SMILESCOCCN(CCO)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H14N2O6/c1-17-7-5-11(4-6-13)10(14)8-2-3-9(18-8)12(15)16/h2-3,13H,4-7H2,1H3
InChIKeyBUFFHQFXUYXEAD-UHFFFAOYSA-N
MW258.23 g/mol
LogP0.27
Rot. Bonds7

About N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide (PubChem CID 115902264) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide
PubChem CID115902264
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide
SMILESCOCCN(CCO)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H14N2O6/c1-17-7-5-11(4-6-13)10(14)8-2-3-9(18-8)12(15)16/h2-3,13H,4-7H2,1H3
InChIKeyBUFFHQFXUYXEAD-UHFFFAOYSA-N
XLogP0.27
TPSA106.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide
CID 113468312
N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide
CID 113339443
N,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90511996
3-[ethyl-(5-nitrofuran-2-carbonyl)amino]propanoic acid
CID 61006997
N-(2-chloro-3-methoxypropyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 63397993
N,N-bis(cyanomethyl)-5-nitrofuran-2-carboxamide
CID 3312705
2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-nitrobenzamide
CID 115772675
N-(2-bromoethyl)-5-chloro-N-(2-methoxyethyl)furan-2-carboxamide
CID 106690138
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 115772526
[methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate
CID 53323017
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
4-hydroxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902414

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide (CID 115902264) is N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide is COCCN(CCO)C(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide?
The InChIKey is BUFFHQFXUYXEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6/c1-17-7-5-11(4-6-13)10(14)8-2-3-9(18-8)12(15)16/h2-3,13H,4-7H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide?
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide has a molecular weight of 258.23 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 115902264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).