N-[2-(2-hydroxyethoxy)ethyl]-4-[2-(5-nitrofuran-2-yl)ethenyl]benzamide

C17H18N2O6 — CID 71395530

IUPACN-[2-(2-hydroxyethoxy)ethyl]-4-[2-(5-nitrofuran-2-yl)ethenyl]benzamide
SMILESO=C(NCCOCCO)c1ccc(C=Cc2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C17H18N2O6/c20-10-12-24-11-9-18-17(21)14-4-1-13(2-5-14)3-6-15-7-8-16(25-15)19(22)23/h1-8,20H,9-12H2,(H,18,21)
InChIKeyUQQLMIFUZOQGRC-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.10
Rot. Bonds9

About N-[2-(2-hydroxyethoxy)ethyl]-4-[2-(5-nitrofuran-2-yl)ethenyl]benzamide

N-[2-(2-hydroxyethoxy)ethyl]-4-[2-(5-nitrofuran-2-yl)ethenyl]benzamide (PubChem CID 71395530) has the molecular formula C17H18N2O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-4-[2-(5-nitrofuran-2-yl)ethenyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-4-[2-(5-nitrofuran-2-yl)ethenyl]benzamide
PubChem CID71395530
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-4-[2-(5-nitrofuran-2-yl)ethenyl]benzamide
SMILESO=C(NCCOCCO)c1ccc(C=Cc2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C17H18N2O6/c20-10-12-24-11-9-18-17(21)14-4-1-13(2-5-14)3-6-15-7-8-16(25-15)19(22)23/h1-8,20H,9-12H2,(H,18,21)
InChIKeyUQQLMIFUZOQGRC-UHFFFAOYSA-N
XLogP2.10
TPSA114.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoic acid
CID 6440938
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide
CID 60747545
N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide
CID 71357848
4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 61251180
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzamide
CID 81471797
N-[2-(2-bromoethoxy)ethyl]-4-nitrobenzamide
CID 114309382
4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine
CID 131848791
3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide
CID 23141516
(E)-N-[2-(4-methoxyphenoxy)ethyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 8935851
4-butoxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 90675804
2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6433366
4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654687

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-4-[2-(5-nitrofuran-2-yl)ethenyl]benzamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-4-[2-(5-nitrofuran-2-yl)ethenyl]benzamide (CID 71395530) is N-[2-(2-hydroxyethoxy)ethyl]-4-[2-(5-nitrofuran-2-yl)ethenyl]benzamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-4-[2-(5-nitrofuran-2-yl)ethenyl]benzamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-4-[2-(5-nitrofuran-2-yl)ethenyl]benzamide is O=C(NCCOCCO)c1ccc(C=Cc2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-4-[2-(5-nitrofuran-2-yl)ethenyl]benzamide?
The InChIKey is UQQLMIFUZOQGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6/c20-10-12-24-11-9-18-17(21)14-4-1-13(2-5-14)3-6-15-7-8-16(25-15)19(22)23/h1-8,20H,9-12H2,(H,18,21).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-4-[2-(5-nitrofuran-2-yl)ethenyl]benzamide?
N-[2-(2-hydroxyethoxy)ethyl]-4-[2-(5-nitrofuran-2-yl)ethenyl]benzamide has a molecular weight of 346.34 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-4-[2-(5-nitrofuran-2-yl)ethenyl]benzamide is sourced from PubChem (CID 71395530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).