N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide

C18H18N2O5 — CID 60569015

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide
SMILESCCCN(C(=O)c1ccc([N+](=O)[O-])o1)C(C)c1cc2ccccc2o1
InChIInChI=1S/C18H18N2O5/c1-3-10-19(18(21)15-8-9-17(25-15)20(22)23)12(2)16-11-13-6-4-5-7-14(13)24-16/h4-9,11-12H,3,10H2,1-2H3
InChIKeyWFWXOMTXTYTLKR-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.55
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide (PubChem CID 60569015) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide
PubChem CID60569015
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide
SMILESCCCN(C(=O)c1ccc([N+](=O)[O-])o1)C(C)c1cc2ccccc2o1
InChIInChI=1S/C18H18N2O5/c1-3-10-19(18(21)15-8-9-17(25-15)20(22)23)12(2)16-11-13-6-4-5-7-14(13)24-16/h4-9,11-12H,3,10H2,1-2H3
InChIKeyWFWXOMTXTYTLKR-UHFFFAOYSA-N
XLogP4.55
TPSA89.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.55
H-Bond Donors ≤ 50
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-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-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-[1-(1-benzofuran-2-yl)ethyl]-1-oxido-N-propylpyridin-1-ium-2-carboxamide
CID 75493606
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide
CID 94486607
2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide
CID 94486660
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-nitrobenzamide
CID 42946017
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide
CID 60574738
(2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide
CID 94486627
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide
CID 94486629
(1S)-1-(1-benzofuran-2-yl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 51873250
5-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-methylbenzamide
CID 120625514
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-(methylamino)acetamide
CID 119748635
N-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine
CID 55905246
N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride
CID 119750740

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide (CID 60569015) is N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide is CCCN(C(=O)c1ccc([N+](=O)[O-])o1)C(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide?
The InChIKey is WFWXOMTXTYTLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-3-10-19(18(21)15-8-9-17(25-15)20(22)23)12(2)16-11-13-6-4-5-7-14(13)24-16/h4-9,11-12H,3,10H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide is sourced from PubChem (CID 60569015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).