5-nitro-N,N-dipropylfuran-2-carboxamide

C11H16N2O4 — CID 1380960

IUPAC5-nitro-N,N-dipropylfuran-2-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H16N2O4/c1-3-7-12(8-4-2)11(14)9-5-6-10(17-9)13(15)16/h5-6H,3-4,7-8H2,1-2H3
InChIKeySLOORKXUFLBPSL-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.45
Rot. Bonds6

About 5-nitro-N,N-dipropylfuran-2-carboxamide

5-nitro-N,N-dipropylfuran-2-carboxamide (PubChem CID 1380960) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-nitro-N,N-dipropylfuran-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N,N-dipropylfuran-2-carboxamide
PubChem CID1380960
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-nitro-N,N-dipropylfuran-2-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H16N2O4/c1-3-7-12(8-4-2)11(14)9-5-6-10(17-9)13(15)16/h5-6H,3-4,7-8H2,1-2H3
InChIKeySLOORKXUFLBPSL-UHFFFAOYSA-N
XLogP2.45
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Nsc59984
CID 5356520
(4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone
CID 726209
N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide
CID 694001
N-benzyl-5-nitrofuran-2-carboxamide
CID 2796393
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 3161426
5-Nitro-furan-2-carboxylic acid (4-piperidin-1-yl-phenyl)-amide
CID 774956
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 2351999
(Hexahydro-1H-azepin-1-yl)(5-nitro-2-furanyl)methanone
CID 2435526
(2-Ethyl-piperidin-1-yl)-(5-nitro-furan-2-yl)-methanone
CID 2836735
(3-Methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone
CID 2843374
5-nitro-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide
CID 4178147
5-Nitro-n-phenylfuran-2-carboxamide
CID 221609

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N,N-dipropylfuran-2-carboxamide?
The IUPAC name of 5-nitro-N,N-dipropylfuran-2-carboxamide (CID 1380960) is 5-nitro-N,N-dipropylfuran-2-carboxamide.
What is the SMILES notation for 5-nitro-N,N-dipropylfuran-2-carboxamide?
The canonical SMILES for 5-nitro-N,N-dipropylfuran-2-carboxamide is CCCN(CCC)C(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N,N-dipropylfuran-2-carboxamide?
The InChIKey is SLOORKXUFLBPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-7-12(8-4-2)11(14)9-5-6-10(17-9)13(15)16/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 5-nitro-N,N-dipropylfuran-2-carboxamide?
5-nitro-N,N-dipropylfuran-2-carboxamide has a molecular weight of 240.26 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N,N-dipropylfuran-2-carboxamide is sourced from PubChem (CID 1380960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).