5-nitro-N-(2-phenylpropan-2-yl)furan-2-carboxamide

C14H14N2O4 — CID 47444766

IUPAC5-nitro-N-(2-phenylpropan-2-yl)furan-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1
InChIInChI=1S/C14H14N2O4/c1-14(2,10-6-4-3-5-7-10)15-13(17)11-8-9-12(20-11)16(18)19/h3-9H,1-2H3,(H,15,17)
InChIKeyMKPWFTZYGKKIRX-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.85
Rot. Bonds4

About 5-nitro-N-(2-phenylpropan-2-yl)furan-2-carboxamide

5-nitro-N-(2-phenylpropan-2-yl)furan-2-carboxamide (PubChem CID 47444766) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-nitro-N-(2-phenylpropan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(2-phenylpropan-2-yl)furan-2-carboxamide
PubChem CID47444766
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name5-nitro-N-(2-phenylpropan-2-yl)furan-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1
InChIInChI=1S/C14H14N2O4/c1-14(2,10-6-4-3-5-7-10)15-13(17)11-8-9-12(20-11)16(18)19/h3-9H,1-2H3,(H,15,17)
InChIKeyMKPWFTZYGKKIRX-UHFFFAOYSA-N
XLogP2.85
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.85
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 5-nitro-N-(2-phenylpropan-2-yl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-(2-phenylpropan-2-yl)furan-2-carboxamide (CID 47444766) is 5-nitro-N-(2-phenylpropan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(2-phenylpropan-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-(2-phenylpropan-2-yl)furan-2-carboxamide is CC(C)(NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1.
What is the InChIKey of 5-nitro-N-(2-phenylpropan-2-yl)furan-2-carboxamide?
The InChIKey is MKPWFTZYGKKIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-14(2,10-6-4-3-5-7-10)15-13(17)11-8-9-12(20-11)16(18)19/h3-9H,1-2H3,(H,15,17).
What are the key properties of 5-nitro-N-(2-phenylpropan-2-yl)furan-2-carboxamide?
5-nitro-N-(2-phenylpropan-2-yl)furan-2-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2-phenylpropan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 47444766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).