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

C18H18N2O3 — CID 135521411

IUPAC(2E)-2-benzylidene-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
SMILESO=C(N/N=C/c1ccccc1O)/C(=C/c1ccccc1)CCO
InChIInChI=1S/C18H18N2O3/c21-11-10-15(12-14-6-2-1-3-7-14)18(23)20-19-13-16-8-4-5-9-17(16)22/h1-9,12-13,21-22H,10-11H2,(H,20,23)/b15-12+,19-13+
InChIKeyVAKTYADCYHVMJR-CAOIWOLBSA-N
MW310.35 g/mol
LogP2.31
Rot. Bonds6

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

(2E)-2-benzylidene-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide (PubChem CID 135521411) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2E)-2-benzylidene-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name(2E)-2-benzylidene-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
PubChem CID135521411
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(2E)-2-benzylidene-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
SMILESO=C(N/N=C/c1ccccc1O)/C(=C/c1ccccc1)CCO
InChIInChI=1S/C18H18N2O3/c21-11-10-15(12-14-6-2-1-3-7-14)18(23)20-19-13-16-8-4-5-9-17(16)22/h1-9,12-13,21-22H,10-11H2,(H,20,23)/b15-12+,19-13+
InChIKeyVAKTYADCYHVMJR-CAOIWOLBSA-N
XLogP2.31
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

Mls002667267
CID 241689
Nsc204792
CID 135459102
(2E)-2-benzylidene-4-hydroxy-N'-[(E)-(4-methoxyphenyl)methylidene]butanehydrazide
CID 6880333
(2E)-2-benzylidene-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-4-hydroxybutanehydrazide
CID 135517036
Salicylaldehyde Benzoyl Hydrazone
CID 135400584
Adipic bis(2-hydroxybenzylidenehydrazide)
CID 135420165
Hydroxy-N-[(2-hydroxyphenyl)methylidene](phenyl)ethanehydrazonic acid
CID 258649
(2E)-2-benzylidene-4-hydroxy-N'-[(E)-(4-hydroxyphenyl)methylidene]butanehydrazide
CID 135521519
N,N'-bis[(2-hydroxyphenyl)methylideneamino]oxamide
CID 243459
N,N'-Bis(salicylideneamino)oxamide
CID 135576411
N'-[(E)-(2-Hydroxyphenyl)methylidene]-6-oxo-1,6-dihydro-3-pyridazinecarbohydrazide
CID 135656379
N-[(2-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 251902

Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
The IUPAC name of (2E)-2-benzylidene-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide (CID 135521411) is (2E)-2-benzylidene-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for (2E)-2-benzylidene-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
The canonical SMILES for (2E)-2-benzylidene-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide is O=C(N/N=C/c1ccccc1O)/C(=C/c1ccccc1)CCO.
What is the InChIKey of (2E)-2-benzylidene-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
The InChIKey is VAKTYADCYHVMJR-CAOIWOLBSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-11-10-15(12-14-6-2-1-3-7-14)18(23)20-19-13-16-8-4-5-9-17(16)22/h1-9,12-13,21-22H,10-11H2,(H,20,23)/b15-12+,19-13+.
What are the key properties of (2E)-2-benzylidene-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
(2E)-2-benzylidene-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide has a molecular weight of 310.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 135521411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).