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

C18H18N2O4 — CID 155510970

IUPAC(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]prop-2-enamide
SMILESCOc1ccc(/C=N/NC(=O)/C=C/c2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C18H18N2O4/c1-23-15-7-3-14(4-8-15)12-19-20-18(22)10-6-13-5-9-16(21)17(11-13)24-2/h3-12,21H,1-2H3,(H,20,22)/b10-6+,19-12+
InChIKeyHLVGLTIKHLCMAO-ATFGCDJJSA-N
MW326.35 g/mol
LogP2.57
Rot. Bonds6

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

(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]prop-2-enamide (PubChem CID 155510970) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]prop-2-enamide
PubChem CID155510970
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]prop-2-enamide
SMILESCOc1ccc(/C=N/NC(=O)/C=C/c2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C18H18N2O4/c1-23-15-7-3-14(4-8-15)12-19-20-18(22)10-6-13-5-9-16(21)17(11-13)24-2/h3-12,21H,1-2H3,(H,20,22)/b10-6+,19-12+
InChIKeyHLVGLTIKHLCMAO-ATFGCDJJSA-N
XLogP2.57
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]prop-2-enamide?
The IUPAC name of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]prop-2-enamide (CID 155510970) is (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]prop-2-enamide?
The canonical SMILES for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]prop-2-enamide is COc1ccc(/C=N/NC(=O)/C=C/c2ccc(O)c(OC)c2)cc1.
What is the InChIKey of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]prop-2-enamide?
The InChIKey is HLVGLTIKHLCMAO-ATFGCDJJSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-23-15-7-3-14(4-8-15)12-19-20-18(22)10-6-13-5-9-16(21)17(11-13)24-2/h3-12,21H,1-2H3,(H,20,22)/b10-6+,19-12+.
What are the key properties of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]prop-2-enamide?
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]prop-2-enamide has a molecular weight of 326.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]prop-2-enamide is sourced from PubChem (CID 155510970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).