(E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide

C19H20N2O4 — CID 19166546

IUPAC(E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide
SMILESCOc1cc(/C=N/NC(=O)/C=C/c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-23-16-11-15(12-17(24-2)19(16)25-3)13-20-21-18(22)10-9-14-7-5-4-6-8-14/h4-13H,1-3H3,(H,21,22)/b10-9+,20-13+
InChIKeyZBYWMDACAUMCLK-RUWBGJHDSA-N
MW340.38 g/mol
LogP2.88
Rot. Bonds7

About (E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide

(E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide (PubChem CID 19166546) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide
PubChem CID19166546
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide
SMILESCOc1cc(/C=N/NC(=O)/C=C/c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-23-16-11-15(12-17(24-2)19(16)25-3)13-20-21-18(22)10-9-14-7-5-4-6-8-14/h4-13H,1-3H3,(H,21,22)/b10-9+,20-13+
InChIKeyZBYWMDACAUMCLK-RUWBGJHDSA-N
XLogP2.88
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
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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Related Compounds

(E)-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-phenylprop-2-enamide
CID 135617979
(Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide
CID 92856946
2-methoxy-2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 17389304
1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 92856854
3-phenyl-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359677
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methylideneamino]prop-2-enamide
CID 1280138
N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78569110
N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
CID 135359423
(E)-N-[(E)-(4-bromophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 46501798
N-benzyl-N'-[(3,4,5-trimethoxyphenyl)methylideneamino]butanediamide
CID 3813231
(E)-N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 168655078
(E)-3-(3,4,5-trimethoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359711

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide (CID 19166546) is (E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide is COc1cc(/C=N/NC(=O)/C=C/c2ccccc2)cc(OC)c1OC.
What is the InChIKey of (E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide?
The InChIKey is ZBYWMDACAUMCLK-RUWBGJHDSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-23-16-11-15(12-17(24-2)19(16)25-3)13-20-21-18(22)10-9-14-7-5-4-6-8-14/h4-13H,1-3H3,(H,21,22)/b10-9+,20-13+.
What are the key properties of (E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide?
(E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide has a molecular weight of 340.38 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide is sourced from PubChem (CID 19166546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).