[4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate

C17H16N2O4 — CID 124605345

IUPAC[4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1cccc(C(=O)N/N=C\c2ccc(OC(C)=O)cc2)c1
InChIInChI=1S/C17H16N2O4/c1-12(20)23-15-8-6-13(7-9-15)11-18-19-17(21)14-4-3-5-16(10-14)22-2/h3-11H,1-2H3,(H,19,21)/b18-11-
InChIKeyNQOXVLDBXBZUEK-WQRHYEAKSA-N
MW312.33 g/mol
LogP2.38
Rot. Bonds5

About [4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate

[4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate (PubChem CID 124605345) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is [4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate
PubChem CID124605345
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name[4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1cccc(C(=O)N/N=C\c2ccc(OC(C)=O)cc2)c1
InChIInChI=1S/C17H16N2O4/c1-12(20)23-15-8-6-13(7-9-15)11-18-19-17(21)14-4-3-5-16(10-14)22-2/h3-11H,1-2H3,(H,19,21)/b18-11-
InChIKeyNQOXVLDBXBZUEK-WQRHYEAKSA-N
XLogP2.38
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 ≤ 52.38
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
[4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 3702836
[4-[(E)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 110506028
N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 4056523
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
CID 5412030
N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 5069524
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-3-methoxybenzamide
CID 6027249
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide
CID 126110640
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 90643398
N-[(2,6-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 4148096
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 136712161

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate?
The IUPAC name of [4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate (CID 124605345) is [4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate.
What is the SMILES notation for [4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate?
The canonical SMILES for [4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate is COc1cccc(C(=O)N/N=C\c2ccc(OC(C)=O)cc2)c1.
What is the InChIKey of [4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate?
The InChIKey is NQOXVLDBXBZUEK-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-12(20)23-15-8-6-13(7-9-15)11-18-19-17(21)14-4-3-5-16(10-14)22-2/h3-11H,1-2H3,(H,19,21)/b18-11-.
What are the key properties of [4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate?
[4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate has a molecular weight of 312.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate is sourced from PubChem (CID 124605345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).