(E)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide

C18H18N2O3 — CID 66572437

IUPAC(E)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide
SMILESCOc1ccc(/C=N/NC(=O)/C=C/c2ccccc2)cc1OC
InChIInChI=1S/C18H18N2O3/c1-22-16-10-8-15(12-17(16)23-2)13-19-20-18(21)11-9-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,20,21)/b11-9+,19-13+
InChIKeyIGMPIFIREUDSPR-JDCCHMEXSA-N
MW310.35 g/mol
LogP2.87
Rot. Bonds6

About (E)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide

(E)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide (PubChem CID 66572437) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (E)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide
PubChem CID66572437
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(E)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide
SMILESCOc1ccc(/C=N/NC(=O)/C=C/c2ccccc2)cc1OC
InChIInChI=1S/C18H18N2O3/c1-22-16-10-8-15(12-17(16)23-2)13-19-20-18(21)11-9-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,20,21)/b11-9+,19-13+
InChIKeyIGMPIFIREUDSPR-JDCCHMEXSA-N
XLogP2.87
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
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'}

Analyze (E)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide (CID 66572437) is (E)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide is COc1ccc(/C=N/NC(=O)/C=C/c2ccccc2)cc1OC.
What is the InChIKey of (E)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide?
The InChIKey is IGMPIFIREUDSPR-JDCCHMEXSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-16-10-8-15(12-17(16)23-2)13-19-20-18(21)11-9-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,20,21)/b11-9+,19-13+.
What are the key properties of (E)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide?
(E)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide has a molecular weight of 310.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide is sourced from PubChem (CID 66572437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).