N-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide

C18H20N2O2 — CID 137119691

IUPACN-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(C)(C)N(N=Cc1ccccc1O)C(=O)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-18(2,3)20(17(22)14-9-5-4-6-10-14)19-13-15-11-7-8-12-16(15)21/h4-13,21H,1-3H3
InChIKeyRSWPEMAYBFNWMR-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.67
Rot. Bonds3

About N-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide

N-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 137119691) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID137119691
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(C)(C)N(N=Cc1ccccc1O)C(=O)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-18(2,3)20(17(22)14-9-5-4-6-10-14)19-13-15-11-7-8-12-16(15)21/h4-13,21H,1-3H3
InChIKeyRSWPEMAYBFNWMR-UHFFFAOYSA-N
XLogP3.67
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
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'}

Analyze N-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide (CID 137119691) is N-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide is CC(C)(C)N(N=Cc1ccccc1O)C(=O)c1ccccc1.
What is the InChIKey of N-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is RSWPEMAYBFNWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-18(2,3)20(17(22)14-9-5-4-6-10-14)19-13-15-11-7-8-12-16(15)21/h4-13,21H,1-3H3.
What are the key properties of N-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
N-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 137119691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).