N'-[(Z)-cyclohex-3-en-1-ylidenemethyl]-4-[(2-phenylphenoxy)methyl]benzohydrazide

C27H26N2O2 — CID 2381303

IUPACN'-[(Z)-cyclohex-3-en-1-ylidenemethyl]-4-[(2-phenylphenoxy)methyl]benzohydrazide
SMILESO=C(NN/C=C1\CC=CCC1)c1ccc(COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C27H26N2O2/c30-27(29-28-19-21-9-3-1-4-10-21)24-17-15-22(16-18-24)20-31-26-14-8-7-13-25(26)23-11-5-2-6-12-23/h1-3,5-8,11-19,28H,4,9-10,20H2,(H,29,30)/b21-19+
InChIKeyZIKFMGQWMFQBAF-XUTLUUPISA-N
MW410.52 g/mol
LogP5.79
Rot. Bonds7

About N'-[(Z)-cyclohex-3-en-1-ylidenemethyl]-4-[(2-phenylphenoxy)methyl]benzohydrazide

N'-[(Z)-cyclohex-3-en-1-ylidenemethyl]-4-[(2-phenylphenoxy)methyl]benzohydrazide (PubChem CID 2381303) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N'-[(Z)-cyclohex-3-en-1-ylidenemethyl]-4-[(2-phenylphenoxy)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(Z)-cyclohex-3-en-1-ylidenemethyl]-4-[(2-phenylphenoxy)methyl]benzohydrazide
PubChem CID2381303
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC NameN'-[(Z)-cyclohex-3-en-1-ylidenemethyl]-4-[(2-phenylphenoxy)methyl]benzohydrazide
SMILESO=C(NN/C=C1\CC=CCC1)c1ccc(COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C27H26N2O2/c30-27(29-28-19-21-9-3-1-4-10-21)24-17-15-22(16-18-24)20-31-26-14-8-7-13-25(26)23-11-5-2-6-12-23/h1-3,5-8,11-19,28H,4,9-10,20H2,(H,29,30)/b21-19+
InChIKeyZIKFMGQWMFQBAF-XUTLUUPISA-N
XLogP5.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea
CID 8626379
N-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide
CID 3942761
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 135607593
N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 6903402
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3944391
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 6904277
N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3309207
N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3428420
[4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea
CID 55333341
1-iodo-4-[(2-phenylphenoxy)methyl]benzene
CID 65489526
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 5009535

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-cyclohex-3-en-1-ylidenemethyl]-4-[(2-phenylphenoxy)methyl]benzohydrazide?
The IUPAC name of N'-[(Z)-cyclohex-3-en-1-ylidenemethyl]-4-[(2-phenylphenoxy)methyl]benzohydrazide (CID 2381303) is N'-[(Z)-cyclohex-3-en-1-ylidenemethyl]-4-[(2-phenylphenoxy)methyl]benzohydrazide.
What is the SMILES notation for N'-[(Z)-cyclohex-3-en-1-ylidenemethyl]-4-[(2-phenylphenoxy)methyl]benzohydrazide?
The canonical SMILES for N'-[(Z)-cyclohex-3-en-1-ylidenemethyl]-4-[(2-phenylphenoxy)methyl]benzohydrazide is O=C(NN/C=C1\CC=CCC1)c1ccc(COc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of N'-[(Z)-cyclohex-3-en-1-ylidenemethyl]-4-[(2-phenylphenoxy)methyl]benzohydrazide?
The InChIKey is ZIKFMGQWMFQBAF-XUTLUUPISA-N. The full InChI is InChI=1S/C27H26N2O2/c30-27(29-28-19-21-9-3-1-4-10-21)24-17-15-22(16-18-24)20-31-26-14-8-7-13-25(26)23-11-5-2-6-12-23/h1-3,5-8,11-19,28H,4,9-10,20H2,(H,29,30)/b21-19+.
What are the key properties of N'-[(Z)-cyclohex-3-en-1-ylidenemethyl]-4-[(2-phenylphenoxy)methyl]benzohydrazide?
N'-[(Z)-cyclohex-3-en-1-ylidenemethyl]-4-[(2-phenylphenoxy)methyl]benzohydrazide has a molecular weight of 410.52 g/mol, XLogP of 5.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-cyclohex-3-en-1-ylidenemethyl]-4-[(2-phenylphenoxy)methyl]benzohydrazide is sourced from PubChem (CID 2381303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).