5-nitro-N-(3-phenylpropyl)furan-2-carboxamide

C14H14N2O4 — CID 17146059

IUPAC5-nitro-N-(3-phenylpropyl)furan-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H14N2O4/c17-14(12-8-9-13(20-12)16(18)19)15-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,15,17)
InChIKeyYZBXSTIFUQVRET-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.55
Rot. Bonds6

About 5-nitro-N-(3-phenylpropyl)furan-2-carboxamide

5-nitro-N-(3-phenylpropyl)furan-2-carboxamide (PubChem CID 17146059) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-nitro-N-(3-phenylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(3-phenylpropyl)furan-2-carboxamide
PubChem CID17146059
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name5-nitro-N-(3-phenylpropyl)furan-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H14N2O4/c17-14(12-8-9-13(20-12)16(18)19)15-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,15,17)
InChIKeyYZBXSTIFUQVRET-UHFFFAOYSA-N
XLogP2.55
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(3-phenylpropyl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-(3-phenylpropyl)furan-2-carboxamide (CID 17146059) is 5-nitro-N-(3-phenylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(3-phenylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-(3-phenylpropyl)furan-2-carboxamide is O=C(NCCCc1ccccc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-(3-phenylpropyl)furan-2-carboxamide?
The InChIKey is YZBXSTIFUQVRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-14(12-8-9-13(20-12)16(18)19)15-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,15,17).
What are the key properties of 5-nitro-N-(3-phenylpropyl)furan-2-carboxamide?
5-nitro-N-(3-phenylpropyl)furan-2-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(3-phenylpropyl)furan-2-carboxamide is sourced from PubChem (CID 17146059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).