2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide

C19H21N3O4 — CID 6056382

IUPAC2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide
SMILESCOc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1ccccc1O
InChIInChI=1S/C19H21N3O4/c1-25-18-12-15(22-8-10-26-11-9-22)7-6-14(18)13-20-21-19(24)16-4-2-3-5-17(16)23/h2-7,12-13,23H,8-11H2,1H3,(H,21,24)/b20-13-
InChIKeyLLTUKHLEFMZUAC-MOSHPQCFSA-N
MW355.39 g/mol
LogP2.00
Rot. Bonds5

About 2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide

2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide (PubChem CID 6056382) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide
PubChem CID6056382
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide
SMILESCOc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1ccccc1O
InChIInChI=1S/C19H21N3O4/c1-25-18-12-15(22-8-10-26-11-9-22)7-6-14(18)13-20-21-19(24)16-4-2-3-5-17(16)23/h2-7,12-13,23H,8-11H2,1H3,(H,21,24)/b20-13-
InChIKeyLLTUKHLEFMZUAC-MOSHPQCFSA-N
XLogP2.00
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide (CID 6056382) is 2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide is COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The InChIKey is LLTUKHLEFMZUAC-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-25-18-12-15(22-8-10-26-11-9-22)7-6-14(18)13-20-21-19(24)16-4-2-3-5-17(16)23/h2-7,12-13,23H,8-11H2,1H3,(H,21,24)/b20-13-.
What are the key properties of 2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide has a molecular weight of 355.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6056382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).