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

C21H23N3O4 — CID 15945783

IUPAC3,4-dimethoxy-N-[2-[2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NN=C/C(C)=C/c2ccccc2)cc1OC
InChIInChI=1S/C21H23N3O4/c1-15(11-16-7-5-4-6-8-16)13-23-24-20(25)14-22-21(26)17-9-10-18(27-2)19(12-17)28-3/h4-13H,14H2,1-3H3,(H,22,26)(H,24,25)/b15-11+,23-13?
InChIKeyGVAIIVJDWNMTKY-UVBDUIKVSA-N
MW381.43 g/mol
LogP2.64
Rot. Bonds8

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

3,4-dimethoxy-N-[2-[2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 15945783) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID15945783
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name3,4-dimethoxy-N-[2-[2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NN=C/C(C)=C/c2ccccc2)cc1OC
InChIInChI=1S/C21H23N3O4/c1-15(11-16-7-5-4-6-8-16)13-23-24-20(25)14-22-21(26)17-9-10-18(27-2)19(12-17)28-3/h4-13H,14H2,1-3H3,(H,22,26)(H,24,25)/b15-11+,23-13?
InChIKeyGVAIIVJDWNMTKY-UVBDUIKVSA-N
XLogP2.64
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

3,4-dimethoxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6874229
3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 3604204
4-methyl-N-[2-[(2E)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 45054169
N-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 136732655
N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 136861906
N-[2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6321510
2-bromo-N-[2-[2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 129441190
N-[2-[2-[(2,5-diphenylthiophen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 123515128
N-[2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 3986823
3,4-dimethoxy-N-[2-[2-[[4-(2-methylpropoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4023456
2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129431732
N-[2-[(2E)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6881851

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 15945783) is 3,4-dimethoxy-N-[2-[2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide is COc1ccc(C(=O)NCC(=O)NN=C/C(C)=C/c2ccccc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is GVAIIVJDWNMTKY-UVBDUIKVSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-15(11-16-7-5-4-6-8-16)13-23-24-20(25)14-22-21(26)17-9-10-18(27-2)19(12-17)28-3/h4-13H,14H2,1-3H3,(H,22,26)(H,24,25)/b15-11+,23-13?.
What are the key properties of 3,4-dimethoxy-N-[2-[2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide?
3,4-dimethoxy-N-[2-[2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 381.43 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 15945783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).