(E)-4-oxo-4-[2-(2-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid

C18H16N2O5 — CID 6234396

IUPAC(E)-4-oxo-4-[2-(2-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid
SMILESO=C(O)/C=C/C(=O)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H16N2O5/c21-16(10-11-17(22)23)19-20-18(24)14-8-4-5-9-15(14)25-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,21)(H,20,24)(H,22,23)/b11-10+
InChIKeyCZRJZTCBQVGHMG-ZHACJKMWSA-N
MW340.34 g/mol
LogP1.67
Rot. Bonds6

About (E)-4-oxo-4-[2-(2-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid

(E)-4-oxo-4-[2-(2-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid (PubChem CID 6234396) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is (E)-4-oxo-4-[2-(2-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid.

Molecular Properties

Compound Name(E)-4-oxo-4-[2-(2-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid
PubChem CID6234396
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name(E)-4-oxo-4-[2-(2-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid
SMILESO=C(O)/C=C/C(=O)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H16N2O5/c21-16(10-11-17(22)23)19-20-18(24)14-8-4-5-9-15(14)25-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,21)(H,20,24)(H,22,23)/b11-10+
InChIKeyCZRJZTCBQVGHMG-ZHACJKMWSA-N
XLogP1.67
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 ≤ 51.67
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'}

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Related Compounds

N'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide
CID 4937960
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
(E)-4-oxo-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid
CID 6234104
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310
N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide
CID 4938113
ethyl (E)-4-oxo-4-[[(2-phenylmethoxybenzoyl)amino]carbamothioylamino]but-2-enoate
CID 6234490
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4938028
2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide
CID 5200532
(E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 6234474
N'-[4-(2-methoxyethoxy)benzoyl]-2-phenylmethoxybenzohydrazide
CID 17353669

Frequently Asked Questions

What is the IUPAC name of (E)-4-oxo-4-[2-(2-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid?
The IUPAC name of (E)-4-oxo-4-[2-(2-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid (CID 6234396) is (E)-4-oxo-4-[2-(2-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid.
What is the SMILES notation for (E)-4-oxo-4-[2-(2-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid?
The canonical SMILES for (E)-4-oxo-4-[2-(2-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid is O=C(O)/C=C/C(=O)NNC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of (E)-4-oxo-4-[2-(2-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid?
The InChIKey is CZRJZTCBQVGHMG-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H16N2O5/c21-16(10-11-17(22)23)19-20-18(24)14-8-4-5-9-15(14)25-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,21)(H,20,24)(H,22,23)/b11-10+.
What are the key properties of (E)-4-oxo-4-[2-(2-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid?
(E)-4-oxo-4-[2-(2-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid has a molecular weight of 340.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-oxo-4-[2-(2-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid is sourced from PubChem (CID 6234396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).