N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide

C10H14N2O5 — CID 113339443

IUPACN-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide
SMILESCCN(CCCO)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H14N2O5/c1-2-11(6-3-7-13)10(14)8-4-5-9(17-8)12(15)16/h4-5,13H,2-3,6-7H2,1H3
InChIKeyZPCOOPYMVXZMNT-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.03
Rot. Bonds6

About N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide

N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide (PubChem CID 113339443) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide
PubChem CID113339443
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide
SMILESCCN(CCCO)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H14N2O5/c1-2-11(6-3-7-13)10(14)8-4-5-9(17-8)12(15)16/h4-5,13H,2-3,6-7H2,1H3
InChIKeyZPCOOPYMVXZMNT-UHFFFAOYSA-N
XLogP1.03
TPSA96.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[ethyl-(5-nitrofuran-2-carbonyl)amino]propanoic acid
CID 61006997
N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 115771226
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide
CID 115902264
N,N-bis(cyanomethyl)-5-nitrofuran-2-carboxamide
CID 3312705
N-ethyl-5-nitro-N-phenylfuran-2-carboxamide
CID 773502
N-butyl-N-ethyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512000
N-(2-bromoethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide
CID 113468312
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide
CID 60558279
4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772047
N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide
CID 103919565
N,4-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638
[methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate
CID 53323017

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide (CID 113339443) is N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide is CCN(CCCO)C(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide?
The InChIKey is ZPCOOPYMVXZMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-2-11(6-3-7-13)10(14)8-4-5-9(17-8)12(15)16/h4-5,13H,2-3,6-7H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide?
N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide has a molecular weight of 242.23 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 113339443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).