N'-[(E)-(3-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide

C19H15N3O3 — CID 51060528

IUPACN'-[(E)-(3-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESO=C(N/N=C/c1cccc(O)c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H15N3O3/c23-15-8-3-5-13(11-15)12-20-22-19(25)18(24)21-17-10-4-7-14-6-1-2-9-16(14)17/h1-12,23H,(H,21,24)(H,22,25)/b20-12+
InChIKeyDYMUVCDVYKCKCV-UDWIEESQSA-N
MW333.35 g/mol
LogP2.63
Rot. Bonds3

About N'-[(E)-(3-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide

N'-[(E)-(3-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide (PubChem CID 51060528) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N'-[(E)-(3-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide.

Molecular Properties

Compound NameN'-[(E)-(3-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
PubChem CID51060528
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN'-[(E)-(3-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESO=C(N/N=C/c1cccc(O)c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H15N3O3/c23-15-8-3-5-13(11-15)12-20-22-19(25)18(24)21-17-10-4-7-14-6-1-2-9-16(14)17/h1-12,23H,(H,21,24)(H,22,25)/b20-12+
InChIKeyDYMUVCDVYKCKCV-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': '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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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(3-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The IUPAC name of N'-[(E)-(3-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide (CID 51060528) is N'-[(E)-(3-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide.
What is the SMILES notation for N'-[(E)-(3-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The canonical SMILES for N'-[(E)-(3-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide is O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of N'-[(E)-(3-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The InChIKey is DYMUVCDVYKCKCV-UDWIEESQSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-15-8-3-5-13(11-15)12-20-22-19(25)18(24)21-17-10-4-7-14-6-1-2-9-16(14)17/h1-12,23H,(H,21,24)(H,22,25)/b20-12+.
What are the key properties of N'-[(E)-(3-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
N'-[(E)-(3-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide 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)-(3-hydroxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide is sourced from PubChem (CID 51060528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).