(E)-4-(4-nitrophenyl)-4-oxo-N,N-dipropylbut-2-enamide

C16H20N2O4 — CID 155549620

IUPAC(E)-4-(4-nitrophenyl)-4-oxo-N,N-dipropylbut-2-enamide
SMILESCCCN(CCC)C(=O)/C=C/C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H20N2O4/c1-3-11-17(12-4-2)16(20)10-9-15(19)13-5-7-14(8-6-13)18(21)22/h5-10H,3-4,11-12H2,1-2H3/b10-9+
InChIKeyZVSNJDRAKLCSST-MDZDMXLPSA-N
MW304.35 g/mol
LogP2.98
Rot. Bonds8

About (E)-4-(4-nitrophenyl)-4-oxo-N,N-dipropylbut-2-enamide

(E)-4-(4-nitrophenyl)-4-oxo-N,N-dipropylbut-2-enamide (PubChem CID 155549620) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is (E)-4-(4-nitrophenyl)-4-oxo-N,N-dipropylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(4-nitrophenyl)-4-oxo-N,N-dipropylbut-2-enamide
PubChem CID155549620
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name(E)-4-(4-nitrophenyl)-4-oxo-N,N-dipropylbut-2-enamide
SMILESCCCN(CCC)C(=O)/C=C/C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H20N2O4/c1-3-11-17(12-4-2)16(20)10-9-15(19)13-5-7-14(8-6-13)18(21)22/h5-10H,3-4,11-12H2,1-2H3/b10-9+
InChIKeyZVSNJDRAKLCSST-MDZDMXLPSA-N
XLogP2.98
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-nitrophenyl)-4-oxo-N,N-dipropylbut-2-enamide?
The IUPAC name of (E)-4-(4-nitrophenyl)-4-oxo-N,N-dipropylbut-2-enamide (CID 155549620) is (E)-4-(4-nitrophenyl)-4-oxo-N,N-dipropylbut-2-enamide.
What is the SMILES notation for (E)-4-(4-nitrophenyl)-4-oxo-N,N-dipropylbut-2-enamide?
The canonical SMILES for (E)-4-(4-nitrophenyl)-4-oxo-N,N-dipropylbut-2-enamide is CCCN(CCC)C(=O)/C=C/C(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-4-(4-nitrophenyl)-4-oxo-N,N-dipropylbut-2-enamide?
The InChIKey is ZVSNJDRAKLCSST-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-3-11-17(12-4-2)16(20)10-9-15(19)13-5-7-14(8-6-13)18(21)22/h5-10H,3-4,11-12H2,1-2H3/b10-9+.
What are the key properties of (E)-4-(4-nitrophenyl)-4-oxo-N,N-dipropylbut-2-enamide?
(E)-4-(4-nitrophenyl)-4-oxo-N,N-dipropylbut-2-enamide has a molecular weight of 304.35 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-nitrophenyl)-4-oxo-N,N-dipropylbut-2-enamide is sourced from PubChem (CID 155549620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).