N-[(E)-(2,4-diethoxyphenyl)methylideneamino]naphthalene-1-carboxamide

C22H22N2O3 — CID 25252623

IUPACN-[(E)-(2,4-diethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2cccc3ccccc23)c(OCC)c1
InChIInChI=1S/C22H22N2O3/c1-3-26-18-13-12-17(21(14-18)27-4-2)15-23-24-22(25)20-11-7-9-16-8-5-6-10-19(16)20/h5-15H,3-4H2,1-2H3,(H,24,25)/b23-15+
InChIKeyOWFJJOJYTRGQQE-HZHRSRAPSA-N
MW362.43 g/mol
LogP4.40
Rot. Bonds7

About N-[(E)-(2,4-diethoxyphenyl)methylideneamino]naphthalene-1-carboxamide

N-[(E)-(2,4-diethoxyphenyl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 25252623) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(E)-(2,4-diethoxyphenyl)methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-diethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
PubChem CID25252623
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[(E)-(2,4-diethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2cccc3ccccc23)c(OCC)c1
InChIInChI=1S/C22H22N2O3/c1-3-26-18-13-12-17(21(14-18)27-4-2)15-23-24-22(25)20-11-7-9-16-8-5-6-10-19(16)20/h5-15H,3-4H2,1-2H3,(H,24,25)/b23-15+
InChIKeyOWFJJOJYTRGQQE-HZHRSRAPSA-N
XLogP4.40
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.40
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)-(2,4-diethoxyphenyl)methylideneamino]naphthalene-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-(2,4-dimethoxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876216
N'-[(2-methoxy-1-naphthyl)methylene]-4-biphenylcarbohydrazide
CID 5332319
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenoxybenzamide
CID 44263380
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide
CID 2401210
3-fluoro-N'-[4-methoxy-3-(phenoxymethyl)benzylidene]benzohydrazide
CID 5431715
N'-(2,3-dimethoxybenzylidene)-1-naphthohydrazide
CID 6874153
2-Fluoro-benzoic acid (2-methoxy-naphthalen-1-ylmethylene)-hydrazide
CID 6907975
N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]naphthalene-1-carbohydrazide
CID 135489946
Nsc-205497
CID 135491081
4-tert-butyl-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 9672271
(2E)-2-(benzoylhydrazono)-7-methoxy-2H-chromene-3-carboxamide
CID 5995680
N'-[(Z)-(2,3,4-trimethoxyphenyl)methylidene]biphenyl-4-carbohydrazide
CID 6149153

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]naphthalene-1-carboxamide (CID 25252623) is N-[(E)-(2,4-diethoxyphenyl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-diethoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(E)-(2,4-diethoxyphenyl)methylideneamino]naphthalene-1-carboxamide is CCOc1ccc(/C=N/NC(=O)c2cccc3ccccc23)c(OCC)c1.
What is the InChIKey of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is OWFJJOJYTRGQQE-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-3-26-18-13-12-17(21(14-18)27-4-2)15-23-24-22(25)20-11-7-9-16-8-5-6-10-19(16)20/h5-15H,3-4H2,1-2H3,(H,24,25)/b23-15+.
What are the key properties of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]naphthalene-1-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-diethoxyphenyl)methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 25252623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).