4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate

C18H19N2O3- — CID 9012896

IUPAC4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate
SMILESCCCOc1ccc(/C(C)=N\Nc2ccc(C(=O)[O-])cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-3-12-23-17-10-6-14(7-11-17)13(2)19-20-16-8-4-15(5-9-16)18(21)22/h4-11,20H,3,12H2,1-2H3,(H,21,22)/p-1/b19-13-
InChIKeyYQSBDEPHFPPXDC-UYRXBGFRSA-M
MW311.36 g/mol
LogP2.67
Rot. Bonds7

About 4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate

4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate (PubChem CID 9012896) has the molecular formula C18H19N2O3- and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate
PubChem CID9012896
Molecular FormulaC18H19N2O3-
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate
SMILESCCCOc1ccc(/C(C)=N\Nc2ccc(C(=O)[O-])cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-3-12-23-17-10-6-14(7-11-17)13(2)19-20-16-8-4-15(5-9-16)18(21)22/h4-11,20H,3,12H2,1-2H3,(H,21,22)/p-1/b19-13-
InChIKeyYQSBDEPHFPPXDC-UYRXBGFRSA-M
XLogP2.67
TPSA73.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.67
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

4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate
CID 7761403
4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate
CID 9012893
4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate
CID 7295893
4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 9012884
sodium 4-[(4-butoxybenzoyl)amino]benzoate
CID 23690385
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169613
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
CID 99945469
[1-(4-propoxyphenyl)ethylideneamino]thiourea
CID 4529421
4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 7734089
N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169937
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
N-[(E)-1-[4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylideneamino]methanamine
CID 163276313

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate?
The IUPAC name of 4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate (CID 9012896) is 4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate.
What is the SMILES notation for 4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate?
The canonical SMILES for 4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate is CCCOc1ccc(/C(C)=N\Nc2ccc(C(=O)[O-])cc2)cc1.
What is the InChIKey of 4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate?
The InChIKey is YQSBDEPHFPPXDC-UYRXBGFRSA-M. The full InChI is InChI=1S/C18H20N2O3/c1-3-12-23-17-10-6-14(7-11-17)13(2)19-20-16-8-4-15(5-9-16)18(21)22/h4-11,20H,3,12H2,1-2H3,(H,21,22)/p-1/b19-13-.
What are the key properties of 4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate?
4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate has a molecular weight of 311.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate is sourced from PubChem (CID 9012896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).