4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide

C26H22N2O2 — CID 135491748

IUPAC4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C26H22N2O2/c1-18(19-7-3-2-4-8-19)28-26(30)21-11-14-22(15-12-21)27-17-24-23-10-6-5-9-20(23)13-16-25(24)29/h2-18,29H,1H3,(H,28,30)/b27-17+
InChIKeyIJMMXTFONLLCMY-WPWMEQJKSA-N
MW394.47 g/mol
LogP5.79
Rot. Bonds5

About 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide

4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide (PubChem CID 135491748) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide
PubChem CID135491748
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C26H22N2O2/c1-18(19-7-3-2-4-8-19)28-26(30)21-11-14-22(15-12-21)27-17-24-23-10-6-5-9-20(23)13-16-25(24)29/h2-18,29H,1H3,(H,28,30)/b27-17+
InChIKeyIJMMXTFONLLCMY-WPWMEQJKSA-N
XLogP5.79
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)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 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide (CID 135491748) is 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccccc1.
What is the InChIKey of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide?
The InChIKey is IJMMXTFONLLCMY-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-18(19-7-3-2-4-8-19)28-26(30)21-11-14-22(15-12-21)27-17-24-23-10-6-5-9-20(23)13-16-25(24)29/h2-18,29H,1H3,(H,28,30)/b27-17+.
What are the key properties of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide?
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide has a molecular weight of 394.47 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 135491748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).