methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate

C17H16N2O4 — CID 3669406

IUPACmethyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C17H16N2O4/c1-22-15-6-4-3-5-14(15)16(20)19-18-11-12-7-9-13(10-8-12)17(21)23-2/h3-11H,1-2H3,(H,19,20)
InChIKeyMKQYMYJKCVKXIC-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.25
Rot. Bonds5

About methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate

methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate (PubChem CID 3669406) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate
PubChem CID3669406
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namemethyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C17H16N2O4/c1-22-15-6-4-3-5-14(15)16(20)19-18-11-12-7-9-13(10-8-12)17(21)23-2/h3-11H,1-2H3,(H,19,20)
InChIKeyMKQYMYJKCVKXIC-UHFFFAOYSA-N
XLogP2.25
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110505830
4-[(E)-[[2-[(2-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 6895010
[4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate
CID 162787179
4-[[[2-[(2-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 2195688
2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795
methyl 4-[[[4-[[(4-methoxycarbonylphenyl)methylideneamino]carbamoyl]phenyl]hydrazinylidene]methyl]benzoate
CID 4090499
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide
CID 137117330
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
N-[2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 4311904
[4-[[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 75087863
N-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide
CID 24773718

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate (CID 3669406) is methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate is COC(=O)c1ccc(C=NNC(=O)c2ccccc2OC)cc1.
What is the InChIKey of methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate?
The InChIKey is MKQYMYJKCVKXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-22-15-6-4-3-5-14(15)16(20)19-18-11-12-7-9-13(10-8-12)17(21)23-2/h3-11H,1-2H3,(H,19,20).
What are the key properties of methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate?
methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate has a molecular weight of 312.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 3669406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).