4-[(2Z)-2-[[3-ethoxy-4-(2-methylbenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoate

C24H21N2O5- — CID 7561503

IUPAC4-[(2Z)-2-[[3-ethoxy-4-(2-methylbenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoate
SMILESCCOc1cc(/C=N\Nc2ccc(C(=O)[O-])cc2)ccc1OC(=O)c1ccccc1C
InChIInChI=1S/C24H22N2O5/c1-3-30-22-14-17(15-25-26-19-11-9-18(10-12-19)23(27)28)8-13-21(22)31-24(29)20-7-5-4-6-16(20)2/h4-15,26H,3H2,1-2H3,(H,27,28)/p-1/b25-15-
InChIKeyFQNNAFOMUPWSSO-MYYYXRDXSA-M
MW417.44 g/mol
LogP3.42
Rot. Bonds8

About 4-[(2Z)-2-[[3-ethoxy-4-(2-methylbenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoate

4-[(2Z)-2-[[3-ethoxy-4-(2-methylbenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoate (PubChem CID 7561503) has the molecular formula C24H21N2O5- and a molecular weight of 417.44 g/mol. Its IUPAC name is 4-[(2Z)-2-[[3-ethoxy-4-(2-methylbenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[(2Z)-2-[[3-ethoxy-4-(2-methylbenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoate
PubChem CID7561503
Molecular FormulaC24H21N2O5-
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Name4-[(2Z)-2-[[3-ethoxy-4-(2-methylbenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoate
SMILESCCOc1cc(/C=N\Nc2ccc(C(=O)[O-])cc2)ccc1OC(=O)c1ccccc1C
InChIInChI=1S/C24H22N2O5/c1-3-30-22-14-17(15-25-26-19-11-9-18(10-12-19)23(27)28)8-13-21(22)31-24(29)20-7-5-4-6-16(20)2/h4-15,26H,3H2,1-2H3,(H,27,28)/p-1/b25-15-
InChIKeyFQNNAFOMUPWSSO-MYYYXRDXSA-M
XLogP3.42
TPSA100.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.42
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-ethoxy-4-[[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 4984343
3-[(2Z)-2-[(4-benzoyloxy-3-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 6039493
ethyl 4-[[2-[2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetyl]amino]benzoate
CID 169383326
[4-[(Z)-[[2-(2,6-dimethylphenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] naphthalene-1-carboxylate
CID 41145133
[2-ethoxy-4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 4105053
[2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 5202746
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 3508725
[4-[(carbamothioylhydrazinylidene)methyl]-2-ethoxyphenyl] 2-methoxybenzoate
CID 4680035
[4-[[(2-bromobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 4120449
[2-ethoxy-4-[(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 3513303
[4-[[(2-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] naphthalene-1-carboxylate
CID 5170309
[2-methoxy-4-[[(4-methylphenyl)hydrazinylidene]methyl]phenyl] benzoate
CID 110840980

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[[3-ethoxy-4-(2-methylbenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoate?
The IUPAC name of 4-[(2Z)-2-[[3-ethoxy-4-(2-methylbenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoate (CID 7561503) is 4-[(2Z)-2-[[3-ethoxy-4-(2-methylbenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 4-[(2Z)-2-[[3-ethoxy-4-(2-methylbenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoate?
The canonical SMILES for 4-[(2Z)-2-[[3-ethoxy-4-(2-methylbenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoate is CCOc1cc(/C=N\Nc2ccc(C(=O)[O-])cc2)ccc1OC(=O)c1ccccc1C.
What is the InChIKey of 4-[(2Z)-2-[[3-ethoxy-4-(2-methylbenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoate?
The InChIKey is FQNNAFOMUPWSSO-MYYYXRDXSA-M. The full InChI is InChI=1S/C24H22N2O5/c1-3-30-22-14-17(15-25-26-19-11-9-18(10-12-19)23(27)28)8-13-21(22)31-24(29)20-7-5-4-6-16(20)2/h4-15,26H,3H2,1-2H3,(H,27,28)/p-1/b25-15-.
What are the key properties of 4-[(2Z)-2-[[3-ethoxy-4-(2-methylbenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoate?
4-[(2Z)-2-[[3-ethoxy-4-(2-methylbenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoate has a molecular weight of 417.44 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[[3-ethoxy-4-(2-methylbenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 7561503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).