2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

C21H21N3O3 — CID 135867898

IUPAC2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCCOc1ccc(NCC(=O)N/N=C\c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C21H21N3O3/c1-2-27-17-10-8-16(9-11-17)22-14-21(26)24-23-13-19-18-6-4-3-5-15(18)7-12-20(19)25/h3-13,22,25H,2,14H2,1H3,(H,24,26)/b23-13-
InChIKeyJWRJGCUSLSJMMD-QRVIBDJDSA-N
MW363.42 g/mol
LogP3.51
Rot. Bonds7

About 2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 135867898) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID135867898
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCCOc1ccc(NCC(=O)N/N=C\c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C21H21N3O3/c1-2-27-17-10-8-16(9-11-17)22-14-21(26)24-23-13-19-18-6-4-3-5-15(18)7-12-20(19)25/h3-13,22,25H,2,14H2,1H3,(H,24,26)/b23-13-
InChIKeyJWRJGCUSLSJMMD-QRVIBDJDSA-N
XLogP3.51
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-Ethoxyanilino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135411347
2-anilino-N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]acetohydrazide
CID 135699116
2-[(4-Fluorophenyl)amino]-N'-[(E)-(2-hydroxynaphthalen-1-YL)methylidene]acetohydrazide
CID 135745098
N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]-2-[(2-methoxyphenyl)amino]acetohydrazide
CID 135420064
(3,4-Dihydro-2H-quinolin-1-yl)-acetic acid [1-(2-hydroxy-naphthalen-1-yl)-meth-(E)-ylidene]-hydrazide
CID 135484398
N'-[(E)-(2-Hydroxynaphthalen-1-YL)methylidene]-2-[(4-methoxyphenyl)amino]propanehydrazide
CID 135829859
2-(4-Ethoxyanilino)-N'-(2-hydroxybenzylidene)acetohydrazide
CID 135560009
2-(Naphthalen-1-ylamino)-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 9598262
N-(2-{2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxoethyl)-N-(2-methoxyphenyl)methanesulfonamide
CID 135401349
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]acetamide
CID 135399804
N'-(2-Hydroxybenzylidene)-2-(4-methoxyanilino)acetohydrazide
CID 135560094
2-{2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135625836

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (CID 135867898) is 2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is CCOc1ccc(NCC(=O)N/N=C\c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is JWRJGCUSLSJMMD-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-27-17-10-8-16(9-11-17)22-14-21(26)24-23-13-19-18-6-4-3-5-15(18)7-12-20(19)25/h3-13,22,25H,2,14H2,1H3,(H,24,26)/b23-13-.
What are the key properties of 2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 363.42 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 135867898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).