(E)-but-2-enedioic acid;1-[2-methoxy-2-(3-methylphenyl)ethyl]-1-methylhydrazine

C15H22N2O5 — CID 46930333

IUPAC(E)-but-2-enedioic acid;1-[2-methoxy-2-(3-methylphenyl)ethyl]-1-methylhydrazine
SMILESCOC(CN(C)N)c1cccc(C)c1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C11H18N2O.C4H4O4/c1-9-5-4-6-10(7-9)11(14-3)8-13(2)12;5-3(6)1-2-4(7)8/h4-7,11H,8,12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyXBZYGRXYZDCASS-WLHGVMLRSA-N
MW310.35 g/mol
LogP1.20
Rot. Bonds6

About (E)-but-2-enedioic acid;1-[2-methoxy-2-(3-methylphenyl)ethyl]-1-methylhydrazine

(E)-but-2-enedioic acid;1-[2-methoxy-2-(3-methylphenyl)ethyl]-1-methylhydrazine (PubChem CID 46930333) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is (E)-but-2-enedioic acid;1-[2-methoxy-2-(3-methylphenyl)ethyl]-1-methylhydrazine.

Molecular Properties

Compound Name(E)-but-2-enedioic acid;1-[2-methoxy-2-(3-methylphenyl)ethyl]-1-methylhydrazine
PubChem CID46930333
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name(E)-but-2-enedioic acid;1-[2-methoxy-2-(3-methylphenyl)ethyl]-1-methylhydrazine
SMILESCOC(CN(C)N)c1cccc(C)c1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C11H18N2O.C4H4O4/c1-9-5-4-6-10(7-9)11(14-3)8-13(2)12;5-3(6)1-2-4(7)8/h4-7,11H,8,12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyXBZYGRXYZDCASS-WLHGVMLRSA-N
XLogP1.20
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

2-methoxy-2-(3-methylphenyl)acetaldehyde
CID 83826728
ethyl (3R)-2-fluoro-3-hydroxy-3-(3-methylphenyl)propanoate
CID 23236665
methyl 2-[dimethylamino-(3-methylphenyl)methyl]-3-methylbutanoate
CID 116913644
dimethyl 2-(3-methylphenyl)propanedioate;ethane
CID 170957140
2-aminooxy-2-(3-methylphenyl)ethanol
CID 105433392
2,2-bis(3-methylphenyl)ethylphosphane
CID 175045111
4-(dimethylamino)-3-(3-methylphenyl)butan-2-one
CID 57465216
acetic acid;azane;1,3-xylene
CID 21426934
2-aminooxy-2-(3-methylphenyl)acetic acid
CID 105439252
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
ethyl (2R)-2-amino-2-(3-methylphenyl)acetate
CID 93311210

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioic acid;1-[2-methoxy-2-(3-methylphenyl)ethyl]-1-methylhydrazine?
The IUPAC name of (E)-but-2-enedioic acid;1-[2-methoxy-2-(3-methylphenyl)ethyl]-1-methylhydrazine (CID 46930333) is (E)-but-2-enedioic acid;1-[2-methoxy-2-(3-methylphenyl)ethyl]-1-methylhydrazine.
What is the SMILES notation for (E)-but-2-enedioic acid;1-[2-methoxy-2-(3-methylphenyl)ethyl]-1-methylhydrazine?
The canonical SMILES for (E)-but-2-enedioic acid;1-[2-methoxy-2-(3-methylphenyl)ethyl]-1-methylhydrazine is COC(CN(C)N)c1cccc(C)c1.O=C(O)/C=C/C(=O)O.
What is the InChIKey of (E)-but-2-enedioic acid;1-[2-methoxy-2-(3-methylphenyl)ethyl]-1-methylhydrazine?
The InChIKey is XBZYGRXYZDCASS-WLHGVMLRSA-N. The full InChI is InChI=1S/C11H18N2O.C4H4O4/c1-9-5-4-6-10(7-9)11(14-3)8-13(2)12;5-3(6)1-2-4(7)8/h4-7,11H,8,12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+.
What are the key properties of (E)-but-2-enedioic acid;1-[2-methoxy-2-(3-methylphenyl)ethyl]-1-methylhydrazine?
(E)-but-2-enedioic acid;1-[2-methoxy-2-(3-methylphenyl)ethyl]-1-methylhydrazine has a molecular weight of 310.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioic acid;1-[2-methoxy-2-(3-methylphenyl)ethyl]-1-methylhydrazine is sourced from PubChem (CID 46930333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).