ethyl (2E)-2-(dibenzylamino)-2-(methylhydrazinylidene)acetate

C19H23N3O2 — CID 164518528

IUPACethyl (2E)-2-(dibenzylamino)-2-(methylhydrazinylidene)acetate
SMILESCCOC(=O)/C(=N\NC)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-3-24-19(23)18(21-20-2)22(14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-13,20H,3,14-15H2,1-2H3/b21-18+
InChIKeyYAPHGWLXXPUPHT-DYTRJAOYSA-N
MW325.41 g/mol
LogP2.78
Rot. Bonds6

About ethyl (2E)-2-(dibenzylamino)-2-(methylhydrazinylidene)acetate

ethyl (2E)-2-(dibenzylamino)-2-(methylhydrazinylidene)acetate (PubChem CID 164518528) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl (2E)-2-(dibenzylamino)-2-(methylhydrazinylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(dibenzylamino)-2-(methylhydrazinylidene)acetate
PubChem CID164518528
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Nameethyl (2E)-2-(dibenzylamino)-2-(methylhydrazinylidene)acetate
SMILESCCOC(=O)/C(=N\NC)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-3-24-19(23)18(21-20-2)22(14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-13,20H,3,14-15H2,1-2H3/b21-18+
InChIKeyYAPHGWLXXPUPHT-DYTRJAOYSA-N
XLogP2.78
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(dibenzylamino)-2-(methylhydrazinylidene)acetate
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ethyl (Z)-3-(dibenzylamino)-4-(4-fluorophenyl)but-2-enoate
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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(dibenzylamino)-2-(methylhydrazinylidene)acetate?
The IUPAC name of ethyl (2E)-2-(dibenzylamino)-2-(methylhydrazinylidene)acetate (CID 164518528) is ethyl (2E)-2-(dibenzylamino)-2-(methylhydrazinylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(dibenzylamino)-2-(methylhydrazinylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(dibenzylamino)-2-(methylhydrazinylidene)acetate is CCOC(=O)/C(=N\NC)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of ethyl (2E)-2-(dibenzylamino)-2-(methylhydrazinylidene)acetate?
The InChIKey is YAPHGWLXXPUPHT-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-24-19(23)18(21-20-2)22(14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-13,20H,3,14-15H2,1-2H3/b21-18+.
What are the key properties of ethyl (2E)-2-(dibenzylamino)-2-(methylhydrazinylidene)acetate?
ethyl (2E)-2-(dibenzylamino)-2-(methylhydrazinylidene)acetate has a molecular weight of 325.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(dibenzylamino)-2-(methylhydrazinylidene)acetate is sourced from PubChem (CID 164518528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).