(E)-N-[3-(furan-2-yl)propyl]-3-(4-nitrophenyl)prop-2-enamide

C16H16N2O4 — CID 53278703

IUPAC(E)-N-[3-(furan-2-yl)propyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCc1ccco1
InChIInChI=1S/C16H16N2O4/c19-16(17-11-1-3-15-4-2-12-22-15)10-7-13-5-8-14(9-6-13)18(20)21/h2,4-10,12H,1,3,11H2,(H,17,19)/b10-7+
InChIKeyNKWGCIIUFIMOEY-JXMROGBWSA-N
MW300.31 g/mol
LogP2.95
Rot. Bonds7

About (E)-N-[3-(furan-2-yl)propyl]-3-(4-nitrophenyl)prop-2-enamide

(E)-N-[3-(furan-2-yl)propyl]-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 53278703) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (E)-N-[3-(furan-2-yl)propyl]-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(furan-2-yl)propyl]-3-(4-nitrophenyl)prop-2-enamide
PubChem CID53278703
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(E)-N-[3-(furan-2-yl)propyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCc1ccco1
InChIInChI=1S/C16H16N2O4/c19-16(17-11-1-3-15-4-2-12-22-15)10-7-13-5-8-14(9-6-13)18(20)21/h2,4-10,12H,1,3,11H2,(H,17,19)/b10-7+
InChIKeyNKWGCIIUFIMOEY-JXMROGBWSA-N
XLogP2.95
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 2261361
(E)-3-(4-nitrophenyl)-N-propylprop-2-enamide
CID 6259038
(E)-N-hex-5-ynyl-3-(4-nitrophenyl)prop-2-enamide
CID 103758070
N-[3-(dimethylamino)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 2873871
(E)-3-(4-nitrophenyl)-N-[3-[4-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6075459
N-(3-methylbutyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2837045
2-methyl-N-[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]ethyl]propanamide
CID 32969553
3-(4-nitrophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
CID 2873741
(E)-N-(3-aminobutyl)-3-(4-nitrophenyl)prop-2-enamide
CID 55168553
(E)-3-(4-fluorophenyl)-N-[2-(4-nitroanilino)ethyl]prop-2-enamide
CID 9308502
(E)-3-(4-nitrophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]prop-2-enamide
CID 51254594
N-(2-morpholin-4-ium-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4744532

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(furan-2-yl)propyl]-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(furan-2-yl)propyl]-3-(4-nitrophenyl)prop-2-enamide (CID 53278703) is (E)-N-[3-(furan-2-yl)propyl]-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(furan-2-yl)propyl]-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(furan-2-yl)propyl]-3-(4-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCc1ccco1.
What is the InChIKey of (E)-N-[3-(furan-2-yl)propyl]-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is NKWGCIIUFIMOEY-JXMROGBWSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-16(17-11-1-3-15-4-2-12-22-15)10-7-13-5-8-14(9-6-13)18(20)21/h2,4-10,12H,1,3,11H2,(H,17,19)/b10-7+.
What are the key properties of (E)-N-[3-(furan-2-yl)propyl]-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-[3-(furan-2-yl)propyl]-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 300.31 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(furan-2-yl)propyl]-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 53278703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).