(E)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-phenylprop-2-enamide

C17H16N2O3 — CID 66572438

IUPAC(E)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-phenylprop-2-enamide
SMILESCOc1ccc(/C=N/NC(=O)/C=C/c2ccccc2)cc1O
InChIInChI=1S/C17H16N2O3/c1-22-16-9-7-14(11-15(16)20)12-18-19-17(21)10-8-13-5-3-2-4-6-13/h2-12,20H,1H3,(H,19,21)/b10-8+,18-12+
InChIKeyIAHXHLYRLYXISC-KWKAUDIHSA-N
MW296.33 g/mol
LogP2.56
Rot. Bonds5

About (E)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-phenylprop-2-enamide

(E)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-phenylprop-2-enamide (PubChem CID 66572438) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (E)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-phenylprop-2-enamide
PubChem CID66572438
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(E)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-phenylprop-2-enamide
SMILESCOc1ccc(/C=N/NC(=O)/C=C/c2ccccc2)cc1O
InChIInChI=1S/C17H16N2O3/c1-22-16-9-7-14(11-15(16)20)12-18-19-17(21)10-8-13-5-3-2-4-6-13/h2-12,20H,1H3,(H,19,21)/b10-8+,18-12+
InChIKeyIAHXHLYRLYXISC-KWKAUDIHSA-N
XLogP2.56
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-phenylprop-2-enamide (CID 66572438) is (E)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-phenylprop-2-enamide is COc1ccc(/C=N/NC(=O)/C=C/c2ccccc2)cc1O.
What is the InChIKey of (E)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-phenylprop-2-enamide?
The InChIKey is IAHXHLYRLYXISC-KWKAUDIHSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-16-9-7-14(11-15(16)20)12-18-19-17(21)10-8-13-5-3-2-4-6-13/h2-12,20H,1H3,(H,19,21)/b10-8+,18-12+.
What are the key properties of (E)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-phenylprop-2-enamide?
(E)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-phenylprop-2-enamide has a molecular weight of 296.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-phenylprop-2-enamide is sourced from PubChem (CID 66572438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).