N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide

C23H21N3O4 — CID 136961623

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)ccc1O
InChIInChI=1S/C23H21N3O4/c1-15-7-10-17(11-8-15)22(28)25-19-6-4-3-5-18(19)23(29)26-24-14-16-9-12-20(27)21(13-16)30-2/h3-14,27H,1-2H3,(H,25,28)(H,26,29)/b24-14+
InChIKeyMOEWYHWZULLXJC-ZVHZXABRSA-N
MW403.44 g/mol
LogP3.73
Rot. Bonds6

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide (PubChem CID 136961623) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide
PubChem CID136961623
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)ccc1O
InChIInChI=1S/C23H21N3O4/c1-15-7-10-17(11-8-15)22(28)25-19-6-4-3-5-18(19)23(29)26-24-14-16-9-12-20(27)21(13-16)30-2/h3-14,27H,1-2H3,(H,25,28)(H,26,29)/b24-14+
InChIKeyMOEWYHWZULLXJC-ZVHZXABRSA-N
XLogP3.73
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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 N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide (CID 136961623) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide is COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide?
The InChIKey is MOEWYHWZULLXJC-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-15-7-10-17(11-8-15)22(28)25-19-6-4-3-5-18(19)23(29)26-24-14-16-9-12-20(27)21(13-16)30-2/h3-14,27H,1-2H3,(H,25,28)(H,26,29)/b24-14+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide has a molecular weight of 403.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide is sourced from PubChem (CID 136961623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).