(2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide

C19H20N2O4 — CID 135517042

IUPAC(2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
SMILESCOc1cc(/C=N/NC(=O)/C(=C/c2ccccc2)CCO)ccc1O
InChIInChI=1S/C19H20N2O4/c1-25-18-12-15(7-8-17(18)23)13-20-21-19(24)16(9-10-22)11-14-5-3-2-4-6-14/h2-8,11-13,22-23H,9-10H2,1H3,(H,21,24)/b16-11+,20-13+
InChIKeyRKBLWHATUCKSIA-NWDFCGOISA-N
MW340.38 g/mol
LogP2.32
Rot. Bonds7

About (2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide

(2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide (PubChem CID 135517042) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name(2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
PubChem CID135517042
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
SMILESCOc1cc(/C=N/NC(=O)/C(=C/c2ccccc2)CCO)ccc1O
InChIInChI=1S/C19H20N2O4/c1-25-18-12-15(7-8-17(18)23)13-20-21-19(24)16(9-10-22)11-14-5-3-2-4-6-14/h2-8,11-13,22-23H,9-10H2,1H3,(H,21,24)/b16-11+,20-13+
InChIKeyRKBLWHATUCKSIA-NWDFCGOISA-N
XLogP2.32
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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'-[(Z)-(3-methoxy-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]acetohydrazide
CID 25237262
Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
4-hydroxy-3-methoxy-N'-[(E)-(3-phenoxyphenyl)methylidene]benzohydrazide
CID 25237444
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647873
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
CID 135650553
Ethyl 2-(3-hydroxy-4-methoxybenzylidene)hydrazine-1-carboxylate
CID 6861615
(2E)-2-benzylidene-4-hydroxy-N'-[(E)-(4-methoxyphenyl)methylidene]butanehydrazide
CID 6880333
4-Hydroxy-N'-(2-hydroxy-3-methoxybenzylidene)benzohydrazide
CID 135472596
1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3983721
N'-(3-hydroxy-4-methoxybenzylidene)[1,1'-biphenyl]-4-carbohydrazide
CID 6868971
N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
CID 6884269
N'-(3-hydroxy-4-methoxybenzylidene)-3-phenylpropanohydrazide
CID 9556614

Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide?
The IUPAC name of (2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide (CID 135517042) is (2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for (2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide?
The canonical SMILES for (2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide is COc1cc(/C=N/NC(=O)/C(=C/c2ccccc2)CCO)ccc1O.
What is the InChIKey of (2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide?
The InChIKey is RKBLWHATUCKSIA-NWDFCGOISA-N. The full InChI is InChI=1S/C19H20N2O4/c1-25-18-12-15(7-8-17(18)23)13-20-21-19(24)16(9-10-22)11-14-5-3-2-4-6-14/h2-8,11-13,22-23H,9-10H2,1H3,(H,21,24)/b16-11+,20-13+.
What are the key properties of (2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide?
(2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide has a molecular weight of 340.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 135517042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).