ethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate

C16H20N2O5 — CID 4929104

IUPACethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate
SMILESC=CCOc1ccccc1C(=O)NNC(=O)CCC(=O)OCC
InChIInChI=1S/C16H20N2O5/c1-3-11-23-13-8-6-5-7-12(13)16(21)18-17-14(19)9-10-15(20)22-4-2/h3,5-8H,1,4,9-11H2,2H3,(H,17,19)(H,18,21)
InChIKeyUMPVRVIUQGVIJP-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.36
Rot. Bonds8

About ethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate

ethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate (PubChem CID 4929104) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is ethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate
PubChem CID4929104
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Nameethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate
SMILESC=CCOc1ccccc1C(=O)NNC(=O)CCC(=O)OCC
InChIInChI=1S/C16H20N2O5/c1-3-11-23-13-8-6-5-7-12(13)16(21)18-17-14(19)9-10-15(20)22-4-2/h3,5-8H,1,4,9-11H2,2H3,(H,17,19)(H,18,21)
InChIKeyUMPVRVIUQGVIJP-UHFFFAOYSA-N
XLogP1.36
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-hexanoyl-2-prop-2-enoxybenzohydrazide
CID 4953986
N'-heptanoyl-2-prop-2-enoxybenzohydrazide
CID 54789258
N'-[2-(4-methoxyphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929179
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713
N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929047
N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929148
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929181
ethyl 4-oxo-4-[(2-prop-2-enoxyphenyl)carbamothioylamino]butanoate
CID 17098272
tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate
CID 137320522
N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929142
4-[2-(2-ethoxybenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4926492
N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide
CID 54786488

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate?
The IUPAC name of ethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate (CID 4929104) is ethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate is C=CCOc1ccccc1C(=O)NNC(=O)CCC(=O)OCC.
What is the InChIKey of ethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate?
The InChIKey is UMPVRVIUQGVIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-3-11-23-13-8-6-5-7-12(13)16(21)18-17-14(19)9-10-15(20)22-4-2/h3,5-8H,1,4,9-11H2,2H3,(H,17,19)(H,18,21).
What are the key properties of ethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate?
ethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate has a molecular weight of 320.35 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate is sourced from PubChem (CID 4929104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).