N-[(E)-(4-acetamidophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide

C20H17N3O3 — CID 6910141

IUPACN-[(E)-(4-acetamidophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCC(=O)Nc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C20H17N3O3/c1-13(24)22-17-8-6-14(7-9-17)12-21-23-20(26)18-10-15-4-2-3-5-16(15)11-19(18)25/h2-12,25H,1H3,(H,22,24)(H,23,26)/b21-12+
InChIKeyIGNLTIPUTSLUBO-CIAFOILYSA-N
MW347.37 g/mol
LogP3.27
Rot. Bonds4

About N-[(E)-(4-acetamidophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[(E)-(4-acetamidophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 6910141) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[(E)-(4-acetamidophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-acetamidophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID6910141
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[(E)-(4-acetamidophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCC(=O)Nc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C20H17N3O3/c1-13(24)22-17-8-6-14(7-9-17)12-21-23-20(26)18-10-15-4-2-3-5-16(15)11-19(18)25/h2-12,25H,1H3,(H,22,24)(H,23,26)/b21-12+
InChIKeyIGNLTIPUTSLUBO-CIAFOILYSA-N
XLogP3.27
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', '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-acetamidophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(E)-(4-acetamidophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 6910141) is N-[(E)-(4-acetamidophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-acetamidophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-(4-acetamidophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is CC(=O)Nc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1.
What is the InChIKey of N-[(E)-(4-acetamidophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is IGNLTIPUTSLUBO-CIAFOILYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13(24)22-17-8-6-14(7-9-17)12-21-23-20(26)18-10-15-4-2-3-5-16(15)11-19(18)25/h2-12,25H,1H3,(H,22,24)(H,23,26)/b21-12+.
What are the key properties of N-[(E)-(4-acetamidophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[(E)-(4-acetamidophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-acetamidophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 6910141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).