N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide

C11H16N2O5 — CID 103919565

IUPACN-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide
SMILESO=C(NCCCCCCO)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H16N2O5/c14-8-4-2-1-3-7-12-11(15)9-5-6-10(18-9)13(16)17/h5-6,14H,1-4,7-8H2,(H,12,15)
InChIKeyXNSXZFBRJLDKQG-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.47
Rot. Bonds8

About N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide

N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide (PubChem CID 103919565) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide
PubChem CID103919565
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC NameN-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide
SMILESO=C(NCCCCCCO)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H16N2O5/c14-8-4-2-1-3-7-12-11(15)9-5-6-10(18-9)13(16)17/h5-6,14H,1-4,7-8H2,(H,12,15)
InChIKeyXNSXZFBRJLDKQG-UHFFFAOYSA-N
XLogP1.47
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N-(6-hydroxyhexyl)-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

N-(5-bromopentyl)-5-nitrofuran-2-carboxamide
CID 107321741
N-(3-aminopropyl)-5-nitrofuran-2-carboxamide
CID 24697621
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
N-[2-(methylamino)ethyl]-5-nitrofuran-2-carboxamide
CID 62658342
5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide
CID 61129714
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408
N-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide
CID 47117300
2-hydroxy-4-[(5-nitrofuran-2-carbonyl)amino]butanoic acid
CID 114006197
N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide
CID 106843396
5-nitro-N-[2-(4-nitroanilino)ethyl]furan-2-carboxamide
CID 26445857
N-[(4-chlorophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146050
5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide
CID 112759087

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide (CID 103919565) is N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide is O=C(NCCCCCCO)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide?
The InChIKey is XNSXZFBRJLDKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c14-8-4-2-1-3-7-12-11(15)9-5-6-10(18-9)13(16)17/h5-6,14H,1-4,7-8H2,(H,12,15).
What are the key properties of N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide?
N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 103919565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).