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

C19H20N2O3 — CID 6880333

IUPAC(2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]butanamide
SMILESCOc1ccc(/C=N/NC(=O)/C(=C/c2ccccc2)CCO)cc1
InChIInChI=1S/C19H20N2O3/c1-24-18-9-7-16(8-10-18)14-20-21-19(23)17(11-12-22)13-15-5-3-2-4-6-15/h2-10,13-14,22H,11-12H2,1H3,(H,21,23)/b17-13+,20-14+
InChIKeyUPQLKJXDINBOCT-DVAGZOOOSA-N
MW324.38 g/mol
LogP2.61
Rot. Bonds7

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

(2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]butanamide (PubChem CID 6880333) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name(2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]butanamide
PubChem CID6880333
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]butanamide
SMILESCOc1ccc(/C=N/NC(=O)/C(=C/c2ccccc2)CCO)cc1
InChIInChI=1S/C19H20N2O3/c1-24-18-9-7-16(8-10-18)14-20-21-19(23)17(11-12-22)13-15-5-3-2-4-6-15/h2-10,13-14,22H,11-12H2,1H3,(H,21,23)/b17-13+,20-14+
InChIKeyUPQLKJXDINBOCT-DVAGZOOOSA-N
XLogP2.61
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]butanamide?
The IUPAC name of (2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]butanamide (CID 6880333) is (2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for (2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]butanamide?
The canonical SMILES for (2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]butanamide is COc1ccc(/C=N/NC(=O)/C(=C/c2ccccc2)CCO)cc1.
What is the InChIKey of (2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]butanamide?
The InChIKey is UPQLKJXDINBOCT-DVAGZOOOSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-18-9-7-16(8-10-18)14-20-21-19(23)17(11-12-22)13-15-5-3-2-4-6-15/h2-10,13-14,22H,11-12H2,1H3,(H,21,23)/b17-13+,20-14+.
What are the key properties of (2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]butanamide?
(2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]butanamide has a molecular weight of 324.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-4-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 6880333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).