[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate

C16H15N3O4 — CID 5416155

IUPAC[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(/C=N\NC(N)=O)cc2)cc1
InChIInChI=1S/C16H15N3O4/c1-22-13-8-4-12(5-9-13)15(20)23-14-6-2-11(3-7-14)10-18-19-16(17)21/h2-10H,1H3,(H3,17,19,21)/b18-10-
InChIKeyIYEZNGICXXYGTQ-ZDLGFXPLSA-N
MW313.31 g/mol
LogP1.92
Rot. Bonds5

About [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate

[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate (PubChem CID 5416155) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
PubChem CID5416155
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(/C=N\NC(N)=O)cc2)cc1
InChIInChI=1S/C16H15N3O4/c1-22-13-8-4-12(5-9-13)15(20)23-14-6-2-11(3-7-14)10-18-19-16(17)21/h2-10H,1H3,(H3,17,19,21)/b18-10-
InChIKeyIYEZNGICXXYGTQ-ZDLGFXPLSA-N
XLogP1.92
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.92
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(carbamoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 3742555
[4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 51060821
[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6114136
[4-[(Z)-[[2-[(4-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6048625
[4-[(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 5006499
[4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate
CID 5415416
[4-[[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 75087863
[4-[(E)-[(3,4,5-trimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6162958
[4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3809444
[4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate
CID 110509030
(4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate
CID 102302326
N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 2590460

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate?
The IUPAC name of [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate (CID 5416155) is [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate.
What is the SMILES notation for [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate?
The canonical SMILES for [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc(/C=N\NC(N)=O)cc2)cc1.
What is the InChIKey of [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate?
The InChIKey is IYEZNGICXXYGTQ-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-22-13-8-4-12(5-9-13)15(20)23-14-6-2-11(3-7-14)10-18-19-16(17)21/h2-10H,1H3,(H3,17,19,21)/b18-10-.
What are the key properties of [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate?
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate has a molecular weight of 313.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate is sourced from PubChem (CID 5416155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).