N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)acetamide

C20H19N3O3 — CID 135420064

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C20H19N3O3/c1-26-19-9-5-4-8-17(19)21-13-20(25)23-22-12-16-15-7-3-2-6-14(15)10-11-18(16)24/h2-12,21,24H,13H2,1H3,(H,23,25)/b22-12+
InChIKeyUUSJWLDMBJMRQS-WSDLNYQXSA-N
MW349.39 g/mol
LogP3.12
Rot. Bonds6

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)acetamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)acetamide (PubChem CID 135420064) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)acetamide
PubChem CID135420064
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C20H19N3O3/c1-26-19-9-5-4-8-17(19)21-13-20(25)23-22-12-16-15-7-3-2-6-14(15)10-11-18(16)24/h2-12,21,24H,13H2,1H3,(H,23,25)/b22-12+
InChIKeyUUSJWLDMBJMRQS-WSDLNYQXSA-N
XLogP3.12
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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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)-(3-allyl-2-hydroxyphenyl)methylene]-2-[(2-methoxyphenyl)amino]acetohydrazide
CID 135420009
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-(1-naphthylamino)acetohydrazide
CID 135420093
(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-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135867898
2-[(2-hydroxynaphthalen-1-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 4882619
N-(2-{2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxoethyl)-N-(2-methoxyphenyl)methanesulfonamide
CID 135401349
N-(2-Methoxyphenyl)-2-(2-(1-naphthylmethylene)hydrazino)-2-oxoacetamide
CID 9591570
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 N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)acetamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)acetamide (CID 135420064) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)acetamide is COc1ccccc1NCC(=O)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)acetamide?
The InChIKey is UUSJWLDMBJMRQS-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-26-19-9-5-4-8-17(19)21-13-20(25)23-22-12-16-15-7-3-2-6-14(15)10-11-18(16)24/h2-12,21,24H,13H2,1H3,(H,23,25)/b22-12+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)acetamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)acetamide has a molecular weight of 349.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)acetamide is sourced from PubChem (CID 135420064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).