1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methoxyphenyl]-1-methylhydrazine;formohydrazide

C19H26N4O2 — CID 144838858

IUPAC1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methoxyphenyl]-1-methylhydrazine;formohydrazide
SMILESCOc1cccc(N(C)N)c1/C=C/c1cc(C)ccc1C.NNC=O
InChIInChI=1S/C18H22N2O.CH4N2O/c1-13-8-9-14(2)15(12-13)10-11-16-17(20(3)19)6-5-7-18(16)21-4;2-3-1-4/h5-12H,19H2,1-4H3;1H,2H2,(H,3,4)/b11-10+;
InChIKeyIJGXBORUGVZODE-ASTDGNLGSA-N
MW342.44 g/mol
LogP2.40
Rot. Bonds5

About 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methoxyphenyl]-1-methylhydrazine;formohydrazide

1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methoxyphenyl]-1-methylhydrazine;formohydrazide (PubChem CID 144838858) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methoxyphenyl]-1-methylhydrazine;formohydrazide.

Molecular Properties

Compound Name1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methoxyphenyl]-1-methylhydrazine;formohydrazide
PubChem CID144838858
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methoxyphenyl]-1-methylhydrazine;formohydrazide
SMILESCOc1cccc(N(C)N)c1/C=C/c1cc(C)ccc1C.NNC=O
InChIInChI=1S/C18H22N2O.CH4N2O/c1-13-8-9-14(2)15(12-13)10-11-16-17(20(3)19)6-5-7-18(16)21-4;2-3-1-4/h5-12H,19H2,1-4H3;1H,2H2,(H,3,4)/b11-10+;
InChIKeyIJGXBORUGVZODE-ASTDGNLGSA-N
XLogP2.40
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

formohydrazide;1-[3-methoxy-2-[(2-methyl-4-prop-1-en-2-ylphenoxy)methyl]phenyl]-1-methylhydrazine
CID 144784769
1-[3-ethyl-2-[(E)-2-(5-methyl-1,3-oxazol-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide
CID 144837899
(4E)-2-(2,6-dimethoxyphenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937456
1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine
CID 144838535
1-[3-ethyl-2-[(E)-2-(4-fluorofuran-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide
CID 144837932
formohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine
CID 144838244
1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide
CID 144784276
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene
CID 71374373
(4E)-4-[(2,5-dimethylphenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 2687709
1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide
CID 144834427
2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde
CID 116810900

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methoxyphenyl]-1-methylhydrazine;formohydrazide?
The IUPAC name of 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methoxyphenyl]-1-methylhydrazine;formohydrazide (CID 144838858) is 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methoxyphenyl]-1-methylhydrazine;formohydrazide.
What is the SMILES notation for 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methoxyphenyl]-1-methylhydrazine;formohydrazide?
The canonical SMILES for 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methoxyphenyl]-1-methylhydrazine;formohydrazide is COc1cccc(N(C)N)c1/C=C/c1cc(C)ccc1C.NNC=O.
What is the InChIKey of 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methoxyphenyl]-1-methylhydrazine;formohydrazide?
The InChIKey is IJGXBORUGVZODE-ASTDGNLGSA-N. The full InChI is InChI=1S/C18H22N2O.CH4N2O/c1-13-8-9-14(2)15(12-13)10-11-16-17(20(3)19)6-5-7-18(16)21-4;2-3-1-4/h5-12H,19H2,1-4H3;1H,2H2,(H,3,4)/b11-10+;.
What are the key properties of 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methoxyphenyl]-1-methylhydrazine;formohydrazide?
1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methoxyphenyl]-1-methylhydrazine;formohydrazide has a molecular weight of 342.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methoxyphenyl]-1-methylhydrazine;formohydrazide is sourced from PubChem (CID 144838858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).