N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-phenyloxamide

C19H15N3O3 — CID 136627435

IUPACN'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-phenyloxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccccc1
InChIInChI=1S/C19H15N3O3/c23-17-11-10-13-6-4-5-9-15(13)16(17)12-20-22-19(25)18(24)21-14-7-2-1-3-8-14/h1-12,23H,(H,21,24)(H,22,25)/b20-12+
InChIKeyHVODOYJSCBFRTH-UDWIEESQSA-N
MW333.35 g/mol
LogP2.63
Rot. Bonds3

About N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-phenyloxamide

N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-phenyloxamide (PubChem CID 136627435) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-phenyloxamide.

Molecular Properties

Compound NameN'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-phenyloxamide
PubChem CID136627435
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-phenyloxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccccc1
InChIInChI=1S/C19H15N3O3/c23-17-11-10-13-6-4-5-9-15(13)16(17)12-20-22-19(25)18(24)21-14-7-2-1-3-8-14/h1-12,23H,(H,21,24)(H,22,25)/b20-12+
InChIKeyHVODOYJSCBFRTH-UDWIEESQSA-N
XLogP2.63
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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-(2-(3-Allyl-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135433321
2-Hydroxy-1-naphthaldehyde N-phenylthiosemicarbazone
CID 135491240
N-(4-{[(E)-(2-hydroxy-1-naphthyl)methylidene]amino}phenyl)acetamide
CID 796792
(E)-1-((2-phenylhydrazono)methyl)naphthalen-2-ol
CID 135408541
2-(4-Ethoxyanilino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135411347
N-(2-ethylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]acetamide
CID 2496326
2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 7997911
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
2-hydroxy-1-naphthaldehyde N-phenylsemicarbazone
CID 135437626
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4882542

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-phenyloxamide?
The IUPAC name of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-phenyloxamide (CID 136627435) is N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-phenyloxamide.
What is the SMILES notation for N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-phenyloxamide?
The canonical SMILES for N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-phenyloxamide is O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccccc1.
What is the InChIKey of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-phenyloxamide?
The InChIKey is HVODOYJSCBFRTH-UDWIEESQSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-17-11-10-13-6-4-5-9-15(13)16(17)12-20-22-19(25)18(24)21-14-7-2-1-3-8-14/h1-12,23H,(H,21,24)(H,22,25)/b20-12+.
What are the key properties of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-phenyloxamide?
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-phenyloxamide has a molecular weight of 333.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-phenyloxamide is sourced from PubChem (CID 136627435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).