3-hydroxy-N-[(E)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]butanamide

C21H24N2O4 — CID 25237289

IUPAC3-hydroxy-N-[(E)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]butanamide
SMILESCOc1cccc(/C=N/NC(=O)CC(C)O)c1OC/C=C/c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-16(24)14-20(25)23-22-15-18-11-6-12-19(26-2)21(18)27-13-7-10-17-8-4-3-5-9-17/h3-12,15-16,24H,13-14H2,1-2H3,(H,23,25)/b10-7+,22-15+
InChIKeyUQDQONMOYNAHOH-AWFLEDEYSA-N
MW368.43 g/mol
LogP3.01
Rot. Bonds9

About 3-hydroxy-N-[(E)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]butanamide

3-hydroxy-N-[(E)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]butanamide (PubChem CID 25237289) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]butanamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]butanamide
PubChem CID25237289
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3-hydroxy-N-[(E)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]butanamide
SMILESCOc1cccc(/C=N/NC(=O)CC(C)O)c1OC/C=C/c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-16(24)14-20(25)23-22-15-18-11-6-12-19(26-2)21(18)27-13-7-10-17-8-4-3-5-9-17/h3-12,15-16,24H,13-14H2,1-2H3,(H,23,25)/b10-7+,22-15+
InChIKeyUQDQONMOYNAHOH-AWFLEDEYSA-N
XLogP3.01
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 3-hydroxy-N-[(E)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]butanamide?
The IUPAC name of 3-hydroxy-N-[(E)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]butanamide (CID 25237289) is 3-hydroxy-N-[(E)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]butanamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]butanamide?
The canonical SMILES for 3-hydroxy-N-[(E)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]butanamide is COc1cccc(/C=N/NC(=O)CC(C)O)c1OC/C=C/c1ccccc1.
What is the InChIKey of 3-hydroxy-N-[(E)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]butanamide?
The InChIKey is UQDQONMOYNAHOH-AWFLEDEYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-16(24)14-20(25)23-22-15-18-11-6-12-19(26-2)21(18)27-13-7-10-17-8-4-3-5-9-17/h3-12,15-16,24H,13-14H2,1-2H3,(H,23,25)/b10-7+,22-15+.
What are the key properties of 3-hydroxy-N-[(E)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]butanamide?
3-hydroxy-N-[(E)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]butanamide has a molecular weight of 368.43 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]butanamide is sourced from PubChem (CID 25237289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).