propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate

C20H23N3O4 — CID 4927512

IUPACpropyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NN=C(C)c2cccc(N)c2)cc1
InChIInChI=1S/C20H23N3O4/c1-3-11-26-20(25)15-7-9-18(10-8-15)27-13-19(24)23-22-14(2)16-5-4-6-17(21)12-16/h4-10,12H,3,11,13,21H2,1-2H3,(H,23,24)
InChIKeyZZGVSYSBDPIRHN-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.75
Rot. Bonds8

About propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate

propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate (PubChem CID 4927512) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namepropyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate
PubChem CID4927512
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Namepropyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NN=C(C)c2cccc(N)c2)cc1
InChIInChI=1S/C20H23N3O4/c1-3-11-26-20(25)15-7-9-18(10-8-15)27-13-19(24)23-22-14(2)16-5-4-6-17(21)12-16/h4-10,12H,3,11,13,21H2,1-2H3,(H,23,24)
InChIKeyZZGVSYSBDPIRHN-UHFFFAOYSA-N
XLogP2.75
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 54777648
propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate
CID 4927468
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide
CID 6178293
2-(3-methylphenoxy)-N-[(Z)-1-(4-propoxyphenyl)ethylideneamino]acetamide
CID 7934604
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5419932
N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide
CID 922110
N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401
2-(4-ethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 905266
N-[1-(3-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927568
propyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate
CID 4927337
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide
CID 3466804
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184

Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate?
The IUPAC name of propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate (CID 4927512) is propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate.
What is the SMILES notation for propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate?
The canonical SMILES for propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate is CCCOC(=O)c1ccc(OCC(=O)NN=C(C)c2cccc(N)c2)cc1.
What is the InChIKey of propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate?
The InChIKey is ZZGVSYSBDPIRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-11-26-20(25)15-7-9-18(10-8-15)27-13-19(24)23-22-14(2)16-5-4-6-17(21)12-16/h4-10,12H,3,11,13,21H2,1-2H3,(H,23,24).
What are the key properties of propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate?
propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate has a molecular weight of 369.42 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate is sourced from PubChem (CID 4927512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).