3-methyl-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide

C20H21N3O2 — CID 6013341

IUPAC3-methyl-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
SMILESCC(/C=C/c1ccccc1)=N/NC(=O)CNC(=O)c1cccc(C)c1
InChIInChI=1S/C20H21N3O2/c1-15-7-6-10-18(13-15)20(25)21-14-19(24)23-22-16(2)11-12-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H,21,25)(H,23,24)/b12-11+,22-16-
InChIKeyWGBXOVVULSYVRI-CAZQFMQNSA-N
MW335.41 g/mol
LogP2.93
Rot. Bonds6

About 3-methyl-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide

3-methyl-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide (PubChem CID 6013341) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
PubChem CID6013341
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-methyl-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
SMILESCC(/C=C/c1ccccc1)=N/NC(=O)CNC(=O)c1cccc(C)c1
InChIInChI=1S/C20H21N3O2/c1-15-7-6-10-18(13-15)20(25)21-14-19(24)23-22-16(2)11-12-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H,21,25)(H,23,24)/b12-11+,22-16-
InChIKeyWGBXOVVULSYVRI-CAZQFMQNSA-N
XLogP2.93
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-chloro-N-[2-oxo-2-[2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 15945772
2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 6042340
2-chloro-N-[2-oxo-2-[2-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 129441454
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]dodecanamide
CID 6156421
N-[2-oxo-2-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]tetradecanamide
CID 51060660
N,N'-bis[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]octanediamide
CID 6321551
[2-methoxy-4-[[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 5106661
N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 6105640
3-methyl-N-phenacylbenzamide
CID 3417494
2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide
CID 4599230
2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 129440342

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide (CID 6013341) is 3-methyl-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide is CC(/C=C/c1ccccc1)=N/NC(=O)CNC(=O)c1cccc(C)c1.
What is the InChIKey of 3-methyl-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide?
The InChIKey is WGBXOVVULSYVRI-CAZQFMQNSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-7-6-10-18(13-15)20(25)21-14-19(24)23-22-16(2)11-12-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H,21,25)(H,23,24)/b12-11+,22-16-.
What are the key properties of 3-methyl-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide?
3-methyl-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 6013341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).