ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate

C19H22N4O2 — CID 71428518

IUPACethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)C(C=NNc1ccc(C)cc1)=NNc1ccc(C)cc1
InChIInChI=1S/C19H22N4O2/c1-4-25-19(24)18(23-22-17-11-7-15(3)8-12-17)13-20-21-16-9-5-14(2)6-10-16/h5-13,21-22H,4H2,1-3H3
InChIKeySJUZNJPKSAQJDY-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.73
Rot. Bonds7

About ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate

ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate (PubChem CID 71428518) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate.

Molecular Properties

Compound Nameethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate
PubChem CID71428518
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Nameethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)C(C=NNc1ccc(C)cc1)=NNc1ccc(C)cc1
InChIInChI=1S/C19H22N4O2/c1-4-25-19(24)18(23-22-17-11-7-15(3)8-12-17)13-20-21-16-9-5-14(2)6-10-16/h5-13,21-22H,4H2,1-3H3
InChIKeySJUZNJPKSAQJDY-UHFFFAOYSA-N
XLogP3.73
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate
CID 159563587
ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate
CID 90967313
ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate
CID 7661905
methyl 3-[(4-methylphenyl)hydrazinylidene]-2-oxobutanoate
CID 88827249
(2E)-N,N-dimethyl-2-[(4-methylphenyl)hydrazinylidene]acetamide
CID 177401018
ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate
CID 5406299
ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate
CID 5377178
ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 71443533
ethyl (2E)-2-[(3-chlorophenyl)hydrazinylidene]but-3-enoate
CID 118946084
4-[2-(2-ethoxy-2-oxoethylidene)hydrazinyl]benzenesulfonic acid
CID 176888579
ethyl 2-[(4-cyanophenyl)hydrazinylidene]acetate
CID 175981441
(2Z,3E)-1-(4-chlorophenyl)-3-hydrazinylidene-2-[(4-methylphenyl)hydrazinylidene]propan-1-one
CID 20850740

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate?
The IUPAC name of ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate (CID 71428518) is ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate.
What is the SMILES notation for ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate?
The canonical SMILES for ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate is CCOC(=O)C(C=NNc1ccc(C)cc1)=NNc1ccc(C)cc1.
What is the InChIKey of ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate?
The InChIKey is SJUZNJPKSAQJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-4-25-19(24)18(23-22-17-11-7-15(3)8-12-17)13-20-21-16-9-5-14(2)6-10-16/h5-13,21-22H,4H2,1-3H3.
What are the key properties of ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate?
ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate has a molecular weight of 338.41 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate is sourced from PubChem (CID 71428518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).