4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate

C23H19N2O5- — CID 8893950

IUPAC4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccccc2/C=N\Nc2ccc(C(=O)[O-])cc2)cc1
InChIInChI=1S/C23H20N2O5/c1-29-23(28)18-8-6-16(7-9-18)15-30-21-5-3-2-4-19(21)14-24-25-20-12-10-17(11-13-20)22(26)27/h2-14,25H,15H2,1H3,(H,26,27)/p-1/b24-14-
InChIKeyKFSCCIUNOGAANS-OYKKKHCWSA-M
MW403.41 g/mol
LogP2.86
Rot. Bonds8

About 4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate

4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate (PubChem CID 8893950) has the molecular formula C23H19N2O5- and a molecular weight of 403.41 g/mol. Its IUPAC name is 4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate
PubChem CID8893950
Molecular FormulaC23H19N2O5-
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccccc2/C=N\Nc2ccc(C(=O)[O-])cc2)cc1
InChIInChI=1S/C23H20N2O5/c1-29-23(28)18-8-6-16(7-9-18)15-30-21-5-3-2-4-19(21)14-24-25-20-12-10-17(11-13-20)22(26)27/h2-14,25H,15H2,1H3,(H,26,27)/p-1/b24-14-
InChIKeyKFSCCIUNOGAANS-OYKKKHCWSA-M
XLogP2.86
TPSA100.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

methyl 4-[[2-[(methoxycarbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 2590045
methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 2165957
methyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 7986305
methyl 4-[[2-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 6906959
methyl 4-[[2-[(Z)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 7934580
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339561
methyl 4-[[2-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 51060766
methyl 4-[[2-[(Z)-[[4-[(4-tert-butylphenoxy)methyl]benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 6057527
4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110508933
3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7992359
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110338538

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate?
The IUPAC name of 4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate (CID 8893950) is 4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate?
The canonical SMILES for 4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate is COC(=O)c1ccc(COc2ccccc2/C=N\Nc2ccc(C(=O)[O-])cc2)cc1.
What is the InChIKey of 4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate?
The InChIKey is KFSCCIUNOGAANS-OYKKKHCWSA-M. The full InChI is InChI=1S/C23H20N2O5/c1-29-23(28)18-8-6-16(7-9-18)15-30-21-5-3-2-4-19(21)14-24-25-20-12-10-17(11-13-20)22(26)27/h2-14,25H,15H2,1H3,(H,26,27)/p-1/b24-14-.
What are the key properties of 4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate?
4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate has a molecular weight of 403.41 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 8893950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).