3,4,5-trimethoxy-N-[2-[(2Z)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide

C22H25N3O5 — CID 51064219

IUPAC3,4,5-trimethoxy-N-[2-[(2Z)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)N/N=C\C(C)=C/c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C22H25N3O5/c1-15(10-16-8-6-5-7-9-16)13-24-25-20(26)14-23-22(27)17-11-18(28-2)21(30-4)19(12-17)29-3/h5-13H,14H2,1-4H3,(H,23,27)(H,25,26)/b15-10-,24-13-
InChIKeyZAUUKYFKUAKECK-VYPOYLKVSA-N
MW411.46 g/mol
LogP2.65
Rot. Bonds9

About 3,4,5-trimethoxy-N-[2-[(2Z)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide

3,4,5-trimethoxy-N-[2-[(2Z)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 51064219) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-[(2Z)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-[(2Z)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID51064219
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name3,4,5-trimethoxy-N-[2-[(2Z)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)N/N=C\C(C)=C/c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C22H25N3O5/c1-15(10-16-8-6-5-7-9-16)13-24-25-20(26)14-23-22(27)17-11-18(28-2)21(30-4)19(12-17)29-3/h5-13H,14H2,1-4H3,(H,23,27)(H,25,26)/b15-10-,24-13-
InChIKeyZAUUKYFKUAKECK-VYPOYLKVSA-N
XLogP2.65
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3,4,5-trimethoxy-N-[2-[(2Z)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-[(2Z)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 51064219) is 3,4,5-trimethoxy-N-[2-[(2Z)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-[(2Z)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-[(2Z)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide is COc1cc(C(=O)NCC(=O)N/N=C\C(C)=C/c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-[(2Z)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is ZAUUKYFKUAKECK-VYPOYLKVSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-15(10-16-8-6-5-7-9-16)13-24-25-20(26)14-23-22(27)17-11-18(28-2)21(30-4)19(12-17)29-3/h5-13H,14H2,1-4H3,(H,23,27)(H,25,26)/b15-10-,24-13-.
What are the key properties of 3,4,5-trimethoxy-N-[2-[(2Z)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide?
3,4,5-trimethoxy-N-[2-[(2Z)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 411.46 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-[(2Z)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 51064219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).