propyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate

C16H22N2O4 — CID 4927337

IUPACpropyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NN=CC(C)C)cc1
InChIInChI=1S/C16H22N2O4/c1-4-9-21-16(20)13-5-7-14(8-6-13)22-11-15(19)18-17-10-12(2)3/h5-8,10,12H,4,9,11H2,1-3H3,(H,18,19)
InChIKeyLRULHBWFVXKBNE-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.39
Rot. Bonds8

About propyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate

propyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate (PubChem CID 4927337) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is propyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namepropyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate
PubChem CID4927337
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namepropyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NN=CC(C)C)cc1
InChIInChI=1S/C16H22N2O4/c1-4-9-21-16(20)13-5-7-14(8-6-13)22-11-15(19)18-17-10-12(2)3/h5-8,10,12H,4,9,11H2,1-3H3,(H,18,19)
InChIKeyLRULHBWFVXKBNE-UHFFFAOYSA-N
XLogP2.39
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.39
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-(4-methoxyphenoxy)-N-(2-methylpropylideneamino)acetamide
CID 4632362
propyl 4-[2-(2-cyclooctylidenehydrazinyl)-2-oxoethoxy]benzoate
CID 54786846
propyl 4-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]ethoxy]benzoate
CID 4927526
propyl 4-[2-[2-[(5-methylthiophen-2-yl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927244
propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate
CID 4927468
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683
propyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate
CID 4927289
propyl 4-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927284
propyl 4-[2-[2-(4-butan-2-yloxybenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 17141452
propyl 4-butoxybenzoate
CID 43389566
propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927512
propyl 4-[2-oxo-2-[2-[4-[[[2-(4-propoxycarbonylphenoxy)acetyl]amino]carbamoyl]cyclohexanecarbonyl]hydrazinyl]ethoxy]benzoate
CID 4928350

Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate?
The IUPAC name of propyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate (CID 4927337) is propyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate.
What is the SMILES notation for propyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate?
The canonical SMILES for propyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate is CCCOC(=O)c1ccc(OCC(=O)NN=CC(C)C)cc1.
What is the InChIKey of propyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate?
The InChIKey is LRULHBWFVXKBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-4-9-21-16(20)13-5-7-14(8-6-13)22-11-15(19)18-17-10-12(2)3/h5-8,10,12H,4,9,11H2,1-3H3,(H,18,19).
What are the key properties of propyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate?
propyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate has a molecular weight of 306.36 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate is sourced from PubChem (CID 4927337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).