N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide

C16H16N2O2 — CID 135627903

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C16H16N2O2/c1-12-6-8-13(9-7-12)10-16(20)18-17-11-14-4-2-3-5-15(14)19/h2-9,11,19H,10H2,1H3,(H,18,20)/b17-11+
InChIKeyPERTYMSLBDJQDR-GZTJUZNOSA-N
MW268.32 g/mol
LogP2.39
Rot. Bonds4

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide (PubChem CID 135627903) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
PubChem CID135627903
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C16H16N2O2/c1-12-6-8-13(9-7-12)10-16(20)18-17-11-14-4-2-3-5-15(14)19/h2-9,11,19H,10H2,1H3,(H,18,20)/b17-11+
InChIKeyPERTYMSLBDJQDR-GZTJUZNOSA-N
XLogP2.39
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide (CID 135627903) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)N/N=C/c2ccccc2O)cc1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide?
The InChIKey is PERTYMSLBDJQDR-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12-6-8-13(9-7-12)10-16(20)18-17-11-14-4-2-3-5-15(14)19/h2-9,11,19H,10H2,1H3,(H,18,20)/b17-11+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide has a molecular weight of 268.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 135627903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).