[2-[2-(4-acetamidophenyl)-2-oxoethanehydrazonoyl]phenyl] (E)-3-phenylprop-2-enoate

C25H21N3O4 — CID 20845186

IUPAC[2-[2-(4-acetamidophenyl)-2-oxoethanehydrazonoyl]phenyl] (E)-3-phenylprop-2-enoate
SMILESCC(=O)Nc1ccc(C(=O)/C(=N/N)c2ccccc2OC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C25H21N3O4/c1-17(29)27-20-14-12-19(13-15-20)25(31)24(28-26)21-9-5-6-10-22(21)32-23(30)16-11-18-7-3-2-4-8-18/h2-16H,26H2,1H3,(H,27,29)/b16-11+,28-24+
InChIKeyGIXNHKYKZOBOLU-WWECBPANSA-N
MW427.46 g/mol
LogP3.81
Rot. Bonds7

About [2-[2-(4-acetamidophenyl)-2-oxoethanehydrazonoyl]phenyl] (E)-3-phenylprop-2-enoate

[2-[2-(4-acetamidophenyl)-2-oxoethanehydrazonoyl]phenyl] (E)-3-phenylprop-2-enoate (PubChem CID 20845186) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is [2-[2-(4-acetamidophenyl)-2-oxoethanehydrazonoyl]phenyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-[2-(4-acetamidophenyl)-2-oxoethanehydrazonoyl]phenyl] (E)-3-phenylprop-2-enoate
PubChem CID20845186
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name[2-[2-(4-acetamidophenyl)-2-oxoethanehydrazonoyl]phenyl] (E)-3-phenylprop-2-enoate
SMILESCC(=O)Nc1ccc(C(=O)/C(=N/N)c2ccccc2OC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C25H21N3O4/c1-17(29)27-20-14-12-19(13-15-20)25(31)24(28-26)21-9-5-6-10-22(21)32-23(30)16-11-18-7-3-2-4-8-18/h2-16H,26H2,1H3,(H,27,29)/b16-11+,28-24+
InChIKeyGIXNHKYKZOBOLU-WWECBPANSA-N
XLogP3.81
TPSA110.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(E)-3-phenylprop-2-enoyl]oxybenzoate
CID 6232774
(2-carbamoylphenyl) 3-phenylprop-2-enoate
CID 142713579
4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 4510499
[1-(4-acetylanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate
CID 3318249
[2-(bromomethyl)phenyl] 3-phenylprop-2-enoate
CID 72974963
[4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate
CID 1234500
[2-[(Z)-[[2-[(4-bromobenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 126004508
[4-(propanoylamino)phenyl] (E)-3-phenylprop-2-enoate
CID 17087246
N-(4-ethanehydrazonoylphenyl)acetamide
CID 149149962
[2-[(E)-3-[2-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]phenoxy]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 126013242
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
[4-(prop-2-enoylamino)phenyl] (E)-3-phenylprop-2-enoate
CID 59668526

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-acetamidophenyl)-2-oxoethanehydrazonoyl]phenyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [2-[2-(4-acetamidophenyl)-2-oxoethanehydrazonoyl]phenyl] (E)-3-phenylprop-2-enoate (CID 20845186) is [2-[2-(4-acetamidophenyl)-2-oxoethanehydrazonoyl]phenyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [2-[2-(4-acetamidophenyl)-2-oxoethanehydrazonoyl]phenyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [2-[2-(4-acetamidophenyl)-2-oxoethanehydrazonoyl]phenyl] (E)-3-phenylprop-2-enoate is CC(=O)Nc1ccc(C(=O)/C(=N/N)c2ccccc2OC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of [2-[2-(4-acetamidophenyl)-2-oxoethanehydrazonoyl]phenyl] (E)-3-phenylprop-2-enoate?
The InChIKey is GIXNHKYKZOBOLU-WWECBPANSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-17(29)27-20-14-12-19(13-15-20)25(31)24(28-26)21-9-5-6-10-22(21)32-23(30)16-11-18-7-3-2-4-8-18/h2-16H,26H2,1H3,(H,27,29)/b16-11+,28-24+.
What are the key properties of [2-[2-(4-acetamidophenyl)-2-oxoethanehydrazonoyl]phenyl] (E)-3-phenylprop-2-enoate?
[2-[2-(4-acetamidophenyl)-2-oxoethanehydrazonoyl]phenyl] (E)-3-phenylprop-2-enoate has a molecular weight of 427.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-acetamidophenyl)-2-oxoethanehydrazonoyl]phenyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 20845186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).