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

C23H17N3O3 — CID 135592770

IUPACN'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H17N3O3/c27-21-13-12-16-7-1-3-9-17(16)19(21)14-24-26-23(29)22(28)25-20-11-5-8-15-6-2-4-10-18(15)20/h1-14,27H,(H,25,28)(H,26,29)/b24-14+
InChIKeyLUKWMAHZXIJWKV-ZVHZXABRSA-N
MW383.41 g/mol
LogP3.79
Rot. Bonds3

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

N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-naphthalen-1-yloxamide (PubChem CID 135592770) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-naphthalen-1-yloxamide.

Molecular Properties

Compound NameN'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-naphthalen-1-yloxamide
PubChem CID135592770
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC NameN'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H17N3O3/c27-21-13-12-16-7-1-3-9-17(16)19(21)14-24-26-23(29)22(28)25-20-11-5-8-15-6-2-4-10-18(15)20/h1-14,27H,(H,25,28)(H,26,29)/b24-14+
InChIKeyLUKWMAHZXIJWKV-ZVHZXABRSA-N
XLogP3.79
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.79
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

N-(4-{[(E)-(2-hydroxy-1-naphthyl)methylidene]amino}phenyl)acetamide
CID 796792
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-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4882542
(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-naphthalen-1-ylpropanamide
CID 44391146
N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]-2-[(2-methoxyphenyl)amino]acetohydrazide
CID 135420064
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-(1-naphthylamino)acetohydrazide
CID 135420093
2-[(2-{2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxoethyl)thio]-N-phenylacetamide
CID 135438768

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-naphthalen-1-yloxamide?
The IUPAC name of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-naphthalen-1-yloxamide (CID 135592770) is N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-naphthalen-1-yloxamide.
What is the SMILES notation for N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-naphthalen-1-yloxamide?
The canonical SMILES for N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-naphthalen-1-yloxamide is O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-naphthalen-1-yloxamide?
The InChIKey is LUKWMAHZXIJWKV-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-21-13-12-16-7-1-3-9-17(16)19(21)14-24-26-23(29)22(28)25-20-11-5-8-15-6-2-4-10-18(15)20/h1-14,27H,(H,25,28)(H,26,29)/b24-14+.
What are the key properties of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-naphthalen-1-yloxamide?
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-naphthalen-1-yloxamide has a molecular weight of 383.41 g/mol, XLogP of 3.79, 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-naphthalen-1-yloxamide is sourced from PubChem (CID 135592770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).