4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide

C20H22N2O3 — CID 135577256

IUPAC4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C2\CCCc3c(C)ccc(O)c32)cc1
InChIInChI=1S/C20H22N2O3/c1-3-25-15-10-8-14(9-11-15)20(24)22-21-17-6-4-5-16-13(2)7-12-18(23)19(16)17/h7-12,23H,3-6H2,1-2H3,(H,22,24)/b21-17+
InChIKeySOZCYRGNDRIZTJ-HEHNFIMWSA-N
MW338.41 g/mol
LogP3.57
Rot. Bonds4

About 4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide

4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide (PubChem CID 135577256) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
PubChem CID135577256
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C2\CCCc3c(C)ccc(O)c32)cc1
InChIInChI=1S/C20H22N2O3/c1-3-25-15-10-8-14(9-11-15)20(24)22-21-17-6-4-5-16-13(2)7-12-18(23)19(16)17/h7-12,23H,3-6H2,1-2H3,(H,22,24)/b21-17+
InChIKeySOZCYRGNDRIZTJ-HEHNFIMWSA-N
XLogP3.57
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide 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

4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
CID 135622319
4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
CID 135755140
4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide
CID 6381697
(4E)-N-(4-ethoxyphenyl)-3-methyl-4-[(4-nitrobenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19156497
4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide
CID 135577280
4-ethoxy-N-[(4-propylcyclohexylidene)amino]benzamide
CID 4109635
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 136671572
N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide
CID 44722545
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
(4-ethylphenyl) (4E)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate
CID 19156215
4-ethoxy-N-(4-methylcyclohexa-1,3-dien-1-yl)benzamide
CID 142206630
(4-methylphenyl) (4E)-4-[(4-hydroxybenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate
CID 19156364

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
The IUPAC name of 4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide (CID 135577256) is 4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide is CCOc1ccc(C(=O)N/N=C2\CCCc3c(C)ccc(O)c32)cc1.
What is the InChIKey of 4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
The InChIKey is SOZCYRGNDRIZTJ-HEHNFIMWSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-25-15-10-8-14(9-11-15)20(24)22-21-17-6-4-5-16-13(2)7-12-18(23)19(16)17/h7-12,23H,3-6H2,1-2H3,(H,22,24)/b21-17+.
What are the key properties of 4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide is sourced from PubChem (CID 135577256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).