N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide

C21H20N2O3 — CID 6871995

IUPACN-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1
InChIInChI=1S/C21H20N2O3/c1-3-26-18-10-8-15(9-11-18)14-22-23-21(24)19-12-16-6-4-5-7-17(16)13-20(19)25-2/h4-14H,3H2,1-2H3,(H,23,24)/b22-14+
InChIKeyRTXRTOCOSSPAMB-HYARGMPZSA-N
MW348.40 g/mol
LogP4.01
Rot. Bonds6

About N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide

N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide (PubChem CID 6871995) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
PubChem CID6871995
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1
InChIInChI=1S/C21H20N2O3/c1-3-26-18-10-8-15(9-11-18)14-22-23-21(24)19-12-16-6-4-5-7-17(16)13-20(19)25-2/h4-14H,3H2,1-2H3,(H,23,24)/b22-14+
InChIKeyRTXRTOCOSSPAMB-HYARGMPZSA-N
XLogP4.01
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide 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-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide (CID 6871995) is N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide is CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1.
What is the InChIKey of N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is RTXRTOCOSSPAMB-HYARGMPZSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-26-18-10-8-15(9-11-18)14-22-23-21(24)19-12-16-6-4-5-7-17(16)13-20(19)25-2/h4-14H,3H2,1-2H3,(H,23,24)/b22-14+.
What are the key properties of N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 6871995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).