4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid

C18H16N2O5 — CID 3272793

IUPAC4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid
SMILESO=C(O)C=CC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O5/c21-16(10-11-18(23)24)19-20-17(22)12-25-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12H2,(H,19,21)(H,20,22)(H,23,24)
InChIKeyLZKVZEVPSQPPBM-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.52
Rot. Bonds6

About 4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid

4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid (PubChem CID 3272793) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid.

Molecular Properties

Compound Name4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid
PubChem CID3272793
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid
SMILESO=C(O)C=CC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O5/c21-16(10-11-18(23)24)19-20-17(22)12-25-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12H2,(H,19,21)(H,20,22)(H,23,24)
InChIKeyLZKVZEVPSQPPBM-UHFFFAOYSA-N
XLogP1.52
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid 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

4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 3488463
N'-acetyl-2-(4-phenylphenoxy)acetohydrazide
CID 3274977
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962
(E)-4-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 6171221
(E)-4-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 6131518
N-carbamoyl-2-(4-phenylphenoxy)acetamide
CID 7868557
(E)-3-[4-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid
CID 134394619
(E)-4-oxo-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid
CID 6234104
2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide
CID 54786447
2-naphthalen-1-yl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide
CID 4513399
(E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide
CID 24636166
N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 3277332

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid?
The IUPAC name of 4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid (CID 3272793) is 4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid.
What is the SMILES notation for 4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid?
The canonical SMILES for 4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid is O=C(O)C=CC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid?
The InChIKey is LZKVZEVPSQPPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c21-16(10-11-18(23)24)19-20-17(22)12-25-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12H2,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid?
4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid has a molecular weight of 340.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid is sourced from PubChem (CID 3272793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).