N-(1-adamantyl)-5-nitrofuran-2-carboxamide

C15H18N2O4 — CID 2994355

IUPACN-(1-adamantyl)-5-nitrofuran-2-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H18N2O4/c18-14(12-1-2-13(21-12)17(19)20)16-15-6-9-3-10(7-15)5-11(4-9)8-15/h1-2,9-11H,3-8H2,(H,16,18)
InChIKeyURUONALALDHCBG-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.89
Rot. Bonds3

About N-(1-adamantyl)-5-nitrofuran-2-carboxamide

N-(1-adamantyl)-5-nitrofuran-2-carboxamide (PubChem CID 2994355) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(1-adamantyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-nitrofuran-2-carboxamide
PubChem CID2994355
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-(1-adamantyl)-5-nitrofuran-2-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H18N2O4/c18-14(12-1-2-13(21-12)17(19)20)16-15-6-9-3-10(7-15)5-11(4-9)8-15/h1-2,9-11H,3-8H2,(H,16,18)
InChIKeyURUONALALDHCBG-UHFFFAOYSA-N
XLogP2.89
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(1-adamantyl)-5-nitrofuran-2-carboxamide (CID 2994355) is N-(1-adamantyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)-5-nitrofuran-2-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(1-adamantyl)-5-nitrofuran-2-carboxamide?
The InChIKey is URUONALALDHCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-14(12-1-2-13(21-12)17(19)20)16-15-6-9-3-10(7-15)5-11(4-9)8-15/h1-2,9-11H,3-8H2,(H,16,18).
What are the key properties of N-(1-adamantyl)-5-nitrofuran-2-carboxamide?
N-(1-adamantyl)-5-nitrofuran-2-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 2994355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).