(E)-N-(4-methoxy-2-nitrophenyl)-3-phenylprop-2-enamide

C16H14N2O4 — CID 5340232

IUPAC(E)-N-(4-methoxy-2-nitrophenyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14N2O4/c1-22-13-8-9-14(15(11-13)18(20)21)17-16(19)10-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,17,19)/b10-7+
InChIKeyDGHSMVHVDXJBQT-JXMROGBWSA-N
MW298.30 g/mol
LogP3.26
Rot. Bonds5

About (E)-N-(4-methoxy-2-nitrophenyl)-3-phenylprop-2-enamide

(E)-N-(4-methoxy-2-nitrophenyl)-3-phenylprop-2-enamide (PubChem CID 5340232) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is (E)-N-(4-methoxy-2-nitrophenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methoxy-2-nitrophenyl)-3-phenylprop-2-enamide
PubChem CID5340232
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name(E)-N-(4-methoxy-2-nitrophenyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14N2O4/c1-22-13-8-9-14(15(11-13)18(20)21)17-16(19)10-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,17,19)/b10-7+
InChIKeyDGHSMVHVDXJBQT-JXMROGBWSA-N
XLogP3.26
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
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)-N-(4-methoxy-2-nitrophenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-methoxy-2-nitrophenyl)-3-phenylprop-2-enamide (CID 5340232) is (E)-N-(4-methoxy-2-nitrophenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-methoxy-2-nitrophenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-methoxy-2-nitrophenyl)-3-phenylprop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of (E)-N-(4-methoxy-2-nitrophenyl)-3-phenylprop-2-enamide?
The InChIKey is DGHSMVHVDXJBQT-JXMROGBWSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-22-13-8-9-14(15(11-13)18(20)21)17-16(19)10-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,17,19)/b10-7+.
What are the key properties of (E)-N-(4-methoxy-2-nitrophenyl)-3-phenylprop-2-enamide?
(E)-N-(4-methoxy-2-nitrophenyl)-3-phenylprop-2-enamide has a molecular weight of 298.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methoxy-2-nitrophenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 5340232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).