ethyl (E,1E)-4-(dimethylamino)-3-(4-nitrophenyl)-2-phenylbut-3-enehydrazonate

C20H24N4O3 — CID 88830023

IUPACethyl (E,1E)-4-(dimethylamino)-3-(4-nitrophenyl)-2-phenylbut-3-enehydrazonate
SMILESCCO/C(=N/N)C(/C(=C\N(C)C)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C20H24N4O3/c1-4-27-20(22-21)19(16-8-6-5-7-9-16)18(14-23(2)3)15-10-12-17(13-11-15)24(25)26/h5-14,19H,4,21H2,1-3H3/b18-14-,22-20+
InChIKeyLLWPZPHQPOLCME-VWTGEQJNSA-N
MW368.44 g/mol
LogP3.59
Rot. Bonds7

About ethyl (E,1E)-4-(dimethylamino)-3-(4-nitrophenyl)-2-phenylbut-3-enehydrazonate

ethyl (E,1E)-4-(dimethylamino)-3-(4-nitrophenyl)-2-phenylbut-3-enehydrazonate (PubChem CID 88830023) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is ethyl (E,1E)-4-(dimethylamino)-3-(4-nitrophenyl)-2-phenylbut-3-enehydrazonate.

Molecular Properties

Compound Nameethyl (E,1E)-4-(dimethylamino)-3-(4-nitrophenyl)-2-phenylbut-3-enehydrazonate
PubChem CID88830023
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Nameethyl (E,1E)-4-(dimethylamino)-3-(4-nitrophenyl)-2-phenylbut-3-enehydrazonate
SMILESCCO/C(=N/N)C(/C(=C\N(C)C)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C20H24N4O3/c1-4-27-20(22-21)19(16-8-6-5-7-9-16)18(14-23(2)3)15-10-12-17(13-11-15)24(25)26/h5-14,19H,4,21H2,1-3H3/b18-14-,22-20+
InChIKeyLLWPZPHQPOLCME-VWTGEQJNSA-N
XLogP3.59
TPSA93.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (E,1E)-4-(dimethylamino)-3-(4-nitrophenyl)-2-phenylbut-3-enehydrazonate 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

ethyl 2-(4-nitrophenyl)-2-phenylacetate
CID 171639560
ethyl 2-(4-nitrobenzoyl)benzoate
CID 24722830
[ethoxy-(4-nitrophenyl)methylidene]azanium
CID 140653146
diethyl 2-[4-(4-nitrophenyl)phenyl]propanedioate
CID 59464037
ethyl 2-(benzhydrylideneamino)-3-(4-nitrophenyl)propanoate
CID 11101480
ethyl 2-(benzenesulfonyl)-2-(4-nitrophenyl)acetate
CID 11057204
ethane;[(E)-[(4-nitrophenyl)-phenylmethylidene]amino]oxymethanamine
CID 90942332
[(2R)-3-hydroxy-2-[[(1R)-1-phenylethyl]amino]propyl] 4-nitrobenzoate
CID 11290873
ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate
CID 139126030
ethyl (1Z)-2-bromo-2-phenylethanehydrazonate
CID 88617294
(E)-4-(dimethylamino)-3-(4-nitrophenyl)but-3-en-2-one
CID 122509352
(E)-3-(dimethylamino)-2-(4-nitrophenyl)prop-2-enenitrile
CID 87544394

Frequently Asked Questions

What is the IUPAC name of ethyl (E,1E)-4-(dimethylamino)-3-(4-nitrophenyl)-2-phenylbut-3-enehydrazonate?
The IUPAC name of ethyl (E,1E)-4-(dimethylamino)-3-(4-nitrophenyl)-2-phenylbut-3-enehydrazonate (CID 88830023) is ethyl (E,1E)-4-(dimethylamino)-3-(4-nitrophenyl)-2-phenylbut-3-enehydrazonate.
What is the SMILES notation for ethyl (E,1E)-4-(dimethylamino)-3-(4-nitrophenyl)-2-phenylbut-3-enehydrazonate?
The canonical SMILES for ethyl (E,1E)-4-(dimethylamino)-3-(4-nitrophenyl)-2-phenylbut-3-enehydrazonate is CCO/C(=N/N)C(/C(=C\N(C)C)c1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of ethyl (E,1E)-4-(dimethylamino)-3-(4-nitrophenyl)-2-phenylbut-3-enehydrazonate?
The InChIKey is LLWPZPHQPOLCME-VWTGEQJNSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-4-27-20(22-21)19(16-8-6-5-7-9-16)18(14-23(2)3)15-10-12-17(13-11-15)24(25)26/h5-14,19H,4,21H2,1-3H3/b18-14-,22-20+.
What are the key properties of ethyl (E,1E)-4-(dimethylamino)-3-(4-nitrophenyl)-2-phenylbut-3-enehydrazonate?
ethyl (E,1E)-4-(dimethylamino)-3-(4-nitrophenyl)-2-phenylbut-3-enehydrazonate has a molecular weight of 368.44 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,1E)-4-(dimethylamino)-3-(4-nitrophenyl)-2-phenylbut-3-enehydrazonate is sourced from PubChem (CID 88830023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).