3,4-dimethoxy-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide

C19H20N2O3 — CID 5411894

IUPAC3,4-dimethoxy-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\C(C)=C\c2ccccc2)cc1OC
InChIInChI=1S/C19H20N2O3/c1-14(11-15-7-5-4-6-8-15)13-20-21-19(22)16-9-10-17(23-2)18(12-16)24-3/h4-13H,1-3H3,(H,21,22)/b14-11+,20-13-
InChIKeyALVVCWPXXOKABF-GKDFUCBUSA-N
MW324.38 g/mol
LogP3.52
Rot. Bonds6

About 3,4-dimethoxy-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide

3,4-dimethoxy-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide (PubChem CID 5411894) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
PubChem CID5411894
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3,4-dimethoxy-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\C(C)=C\c2ccccc2)cc1OC
InChIInChI=1S/C19H20N2O3/c1-14(11-15-7-5-4-6-8-15)13-20-21-19(22)16-9-10-17(23-2)18(12-16)24-3/h4-13H,1-3H3,(H,21,22)/b14-11+,20-13-
InChIKeyALVVCWPXXOKABF-GKDFUCBUSA-N
XLogP3.52
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 3,4-dimethoxy-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide (CID 5411894) is 3,4-dimethoxy-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide is COc1ccc(C(=O)N/N=C\C(C)=C\c2ccccc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide?
The InChIKey is ALVVCWPXXOKABF-GKDFUCBUSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14(11-15-7-5-4-6-8-15)13-20-21-19(22)16-9-10-17(23-2)18(12-16)24-3/h4-13H,1-3H3,(H,21,22)/b14-11+,20-13-.
What are the key properties of 3,4-dimethoxy-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide?
3,4-dimethoxy-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide has a molecular weight of 324.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide is sourced from PubChem (CID 5411894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).