N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide

C12H14N2O3 — CID 4531910

IUPACN-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide
SMILESCC=C(C)C(=O)NN=Cc1ccc(O)cc1O
InChIInChI=1S/C12H14N2O3/c1-3-8(2)12(17)14-13-7-9-4-5-10(15)6-11(9)16/h3-7,15-16H,1-2H3,(H,14,17)
InChIKeyOUYUXAASAYULAM-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.51
Rot. Bonds3

About N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide

N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide (PubChem CID 4531910) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide.

Molecular Properties

Compound NameN-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide
PubChem CID4531910
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide
SMILESCC=C(C)C(=O)NN=Cc1ccc(O)cc1O
InChIInChI=1S/C12H14N2O3/c1-3-8(2)12(17)14-13-7-9-4-5-10(15)6-11(9)16/h3-7,15-16H,1-2H3,(H,14,17)
InChIKeyOUYUXAASAYULAM-UHFFFAOYSA-N
XLogP1.51
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 689755
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 135684849
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
CID 3615111
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
CID 4632012
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135628281
[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 136700894
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
4-(methyliminomethyl)benzene-1,3-diol
CID 136600311
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 137168015

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide?
The IUPAC name of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide (CID 4531910) is N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide.
What is the SMILES notation for N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide?
The canonical SMILES for N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide is CC=C(C)C(=O)NN=Cc1ccc(O)cc1O.
What is the InChIKey of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide?
The InChIKey is OUYUXAASAYULAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-8(2)12(17)14-13-7-9-4-5-10(15)6-11(9)16/h3-7,15-16H,1-2H3,(H,14,17).
What are the key properties of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide?
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide has a molecular weight of 234.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide is sourced from PubChem (CID 4531910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).