N-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide

C14H14N2O4 — CID 90558308

IUPACN-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1ccoc1
InChIInChI=1S/C14H14N2O4/c17-14(15-7-5-12-6-8-20-10-12)9-11-1-3-13(4-2-11)16(18)19/h1-4,6,8,10H,5,7,9H2,(H,15,17)
InChIKeyCEVFCHXCZDZTLV-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.09
Rot. Bonds6

About N-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide

N-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide (PubChem CID 90558308) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide
PubChem CID90558308
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1ccoc1
InChIInChI=1S/C14H14N2O4/c17-14(15-7-5-12-6-8-20-10-12)9-11-1-3-13(4-2-11)16(18)19/h1-4,6,8,10H,5,7,9H2,(H,15,17)
InChIKeyCEVFCHXCZDZTLV-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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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Related Compounds

N-[2-(furan-3-yl)ethyl]-4-nitrobenzamide
CID 90558290
N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
CID 2054852
2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 14180969
2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 22505904
N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide
CID 62657388
2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61218715
2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide
CID 3684715
N-[2-(4-nitrophenyl)ethyl]pentanamide
CID 110294427
2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61219292
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990
2-(4-nitrophenyl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9163121
5-chloro-N-[2-(furan-3-yl)ethyl]-2-nitrobenzamide
CID 90558334

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide (CID 90558308) is N-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1ccoc1.
What is the InChIKey of N-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is CEVFCHXCZDZTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-14(15-7-5-12-6-8-20-10-12)9-11-1-3-13(4-2-11)16(18)19/h1-4,6,8,10H,5,7,9H2,(H,15,17).
What are the key properties of N-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide?
N-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 274.28 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 90558308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).