4-hydroxy-3-methoxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide

C24H23N3O4 — CID 25237599

IUPAC4-hydroxy-3-methoxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
SMILESCOc1cc(C(=O)N/N=C(\C)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1O
InChIInChI=1S/C24H23N3O4/c1-16(26-27-24(30)19-10-13-21(28)22(15-19)31-2)18-8-11-20(12-9-18)25-23(29)14-17-6-4-3-5-7-17/h3-13,15,28H,14H2,1-2H3,(H,25,29)(H,27,30)/b26-16+
InChIKeyCMJWEGJSWKSYMW-WGOQTCKBSA-N
MW417.47 g/mol
LogP3.74
Rot. Bonds7

About 4-hydroxy-3-methoxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide

4-hydroxy-3-methoxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide (PubChem CID 25237599) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
PubChem CID25237599
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name4-hydroxy-3-methoxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
SMILESCOc1cc(C(=O)N/N=C(\C)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1O
InChIInChI=1S/C24H23N3O4/c1-16(26-27-24(30)19-10-13-21(28)22(15-19)31-2)18-8-11-20(12-9-18)25-23(29)14-17-6-4-3-5-7-17/h3-13,15,28H,14H2,1-2H3,(H,25,29)(H,27,30)/b26-16+
InChIKeyCMJWEGJSWKSYMW-WGOQTCKBSA-N
XLogP3.74
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.74
H-Bond Donors ≤ 53
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 4-hydroxy-3-methoxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
The IUPAC name of 4-hydroxy-3-methoxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide (CID 25237599) is 4-hydroxy-3-methoxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-3-methoxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-3-methoxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide is COc1cc(C(=O)N/N=C(\C)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1O.
What is the InChIKey of 4-hydroxy-3-methoxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
The InChIKey is CMJWEGJSWKSYMW-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-16(26-27-24(30)19-10-13-21(28)22(15-19)31-2)18-8-11-20(12-9-18)25-23(29)14-17-6-4-3-5-7-17/h3-13,15,28H,14H2,1-2H3,(H,25,29)(H,27,30)/b26-16+.
What are the key properties of 4-hydroxy-3-methoxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
4-hydroxy-3-methoxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide has a molecular weight of 417.47 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 25237599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).