N-(furan-2-ylmethyl)-2-(4-nitrophenyl)propanamide

C14H14N2O4 — CID 2944720

IUPACN-(furan-2-ylmethyl)-2-(4-nitrophenyl)propanamide
SMILESCC(C(=O)NCc1ccco1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O4/c1-10(11-4-6-12(7-5-11)16(18)19)14(17)15-9-13-3-2-8-20-13/h2-8,10H,9H2,1H3,(H,15,17)
InChIKeyUZJKZQULGIKMNE-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.61
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4-nitrophenyl)propanamide

N-(furan-2-ylmethyl)-2-(4-nitrophenyl)propanamide (PubChem CID 2944720) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-nitrophenyl)propanamide
PubChem CID2944720
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN-(furan-2-ylmethyl)-2-(4-nitrophenyl)propanamide
SMILESCC(C(=O)NCc1ccco1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O4/c1-10(11-4-6-12(7-5-11)16(18)19)14(17)15-9-13-3-2-8-20-13/h2-8,10H,9H2,1H3,(H,15,17)
InChIKeyUZJKZQULGIKMNE-UHFFFAOYSA-N
XLogP2.61
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.61
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-(furan-2-ylmethyl)-2-(4-nitrophenyl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-nitrophenyl)propanamide (CID 2944720) is N-(furan-2-ylmethyl)-2-(4-nitrophenyl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-nitrophenyl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-nitrophenyl)propanamide is CC(C(=O)NCc1ccco1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-nitrophenyl)propanamide?
The InChIKey is UZJKZQULGIKMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-10(11-4-6-12(7-5-11)16(18)19)14(17)15-9-13-3-2-8-20-13/h2-8,10H,9H2,1H3,(H,15,17).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-nitrophenyl)propanamide?
N-(furan-2-ylmethyl)-2-(4-nitrophenyl)propanamide has a molecular weight of 274.28 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-nitrophenyl)propanamide is sourced from PubChem (CID 2944720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).