(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide

C12H14N4O5 — CID 135624062

IUPAC(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide
SMILESCNC(=O)C(/N=N/c1ccc([N+](=O)[O-])cc1OC)=C(/C)O
InChIInChI=1S/C12H14N4O5/c1-7(17)11(12(18)13-2)15-14-9-5-4-8(16(19)20)6-10(9)21-3/h4-6,17H,1-3H3,(H,13,18)/b11-7+,15-14+
InChIKeyGZMAUZIDLRCDJV-PMYJVMGRSA-N
MW294.27 g/mol
LogP2.22
Rot. Bonds5

About (E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide

(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide (PubChem CID 135624062) has the molecular formula C12H14N4O5 and a molecular weight of 294.27 g/mol. Its IUPAC name is (E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide
PubChem CID135624062
Molecular FormulaC12H14N4O5
Molecular Weight294.27 g/mol
Exact Mass294.10
IUPAC Name(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide
SMILESCNC(=O)C(/N=N/c1ccc([N+](=O)[O-])cc1OC)=C(/C)O
InChIInChI=1S/C12H14N4O5/c1-7(17)11(12(18)13-2)15-14-9-5-4-8(16(19)20)6-10(9)21-3/h4-6,17H,1-3H3,(H,13,18)/b11-7+,15-14+
InChIKeyGZMAUZIDLRCDJV-PMYJVMGRSA-N
XLogP2.22
TPSA126.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze (E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
CID 166639984
[(E)-4-anilino-3-[(2-methoxy-4-nitrophenyl)diazenyl]-4-oxobut-2-en-2-yl] propan-2-yl carbonate
CID 89092881
(Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
CID 135941732
sodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide
CID 170844614
N-[5-(2-acetamidoethyl)-2-methoxyphenyl]-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]but-2-enamide;N-[5-(2-acetamidoethyl)-2-methoxyphenyl]-3-oxobutanamide;2-methoxy-4-nitrobenzenediazonium
CID 158839039
4-[(4-ethenylphenyl)-hydroxymethoxy]-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)but-2-enamide
CID 147160024
N-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline
CID 86081155
2-methoxy-4-nitrobenzoate
CID 6995516
2-[(2-methoxy-4-methylphenyl)diazenyl]-N-[4-[[2-[(2-methoxy-4-nitrophenyl)diazenyl]-3-oxobutanoyl]amino]phenyl]-3-oxobutanamide
CID 54209235
methyl 2-methoxy-4-nitrobenzoate
CID 10798535
N,2-dimethoxy-4-nitrobenzamide
CID 44632214
N-[2-methoxy-4-[3-methoxy-4-[[N-(4-nitroanilino)-C-phenylcarbonimidoyl]diazenyl]phenyl]phenyl]imino-N'-(4-nitroanilino)benzenecarboximidamide
CID 4066202

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide?
The IUPAC name of (E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide (CID 135624062) is (E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide.
What is the SMILES notation for (E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide?
The canonical SMILES for (E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide is CNC(=O)C(/N=N/c1ccc([N+](=O)[O-])cc1OC)=C(/C)O.
What is the InChIKey of (E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide?
The InChIKey is GZMAUZIDLRCDJV-PMYJVMGRSA-N. The full InChI is InChI=1S/C12H14N4O5/c1-7(17)11(12(18)13-2)15-14-9-5-4-8(16(19)20)6-10(9)21-3/h4-6,17H,1-3H3,(H,13,18)/b11-7+,15-14+.
What are the key properties of (E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide?
(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide has a molecular weight of 294.27 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide is sourced from PubChem (CID 135624062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).