(2E)-3-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylidenebut-3-enamide

C13H18N4O3 — CID 143035483

IUPAC(2E)-3-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylidenebut-3-enamide
SMILESC=C(N)/C(=N\N)C(=O)NCc1ccc(OC)cc1OC
InChIInChI=1S/C13H18N4O3/c1-8(14)12(17-15)13(18)16-7-9-4-5-10(19-2)6-11(9)20-3/h4-6H,1,7,14-15H2,2-3H3,(H,16,18)/b17-12+
InChIKeyJRURQNGFKPESCX-SFQUDFHCSA-N
MW278.31 g/mol
LogP0.11
Rot. Bonds6

About (2E)-3-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylidenebut-3-enamide

(2E)-3-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylidenebut-3-enamide (PubChem CID 143035483) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2E)-3-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylidenebut-3-enamide.

Molecular Properties

Compound Name(2E)-3-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylidenebut-3-enamide
PubChem CID143035483
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name(2E)-3-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylidenebut-3-enamide
SMILESC=C(N)/C(=N\N)C(=O)NCc1ccc(OC)cc1OC
InChIInChI=1S/C13H18N4O3/c1-8(14)12(17-15)13(18)16-7-9-4-5-10(19-2)6-11(9)20-3/h4-6H,1,7,14-15H2,2-3H3,(H,16,18)/b17-12+
InChIKeyJRURQNGFKPESCX-SFQUDFHCSA-N
XLogP0.11
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dimethoxyphenyl)methylurea
CID 53362457
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
N-(2-amino-2-oxoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 9297010
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride
CID 119956336
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60543673
1-carbamothioyl-N-[(2,4-dimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80590384
4-[[[N-[(2,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111880054
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide
CID 46453624
5-[(2,4-dimethoxyphenyl)methylamino]pentanamide
CID 106234712
N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide
CID 71443665

Frequently Asked Questions

What is the IUPAC name of (2E)-3-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylidenebut-3-enamide?
The IUPAC name of (2E)-3-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylidenebut-3-enamide (CID 143035483) is (2E)-3-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylidenebut-3-enamide.
What is the SMILES notation for (2E)-3-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylidenebut-3-enamide?
The canonical SMILES for (2E)-3-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylidenebut-3-enamide is C=C(N)/C(=N\N)C(=O)NCc1ccc(OC)cc1OC.
What is the InChIKey of (2E)-3-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylidenebut-3-enamide?
The InChIKey is JRURQNGFKPESCX-SFQUDFHCSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-8(14)12(17-15)13(18)16-7-9-4-5-10(19-2)6-11(9)20-3/h4-6H,1,7,14-15H2,2-3H3,(H,16,18)/b17-12+.
What are the key properties of (2E)-3-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylidenebut-3-enamide?
(2E)-3-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylidenebut-3-enamide has a molecular weight of 278.31 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylidenebut-3-enamide is sourced from PubChem (CID 143035483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).