N-naphthalen-1-yl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide

C26H21N3O3 — CID 6241082

IUPACN-naphthalen-1-yl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C26H21N3O3/c30-25(28-24-12-6-10-21-9-4-5-11-23(21)24)26(31)29-27-17-19-13-15-22(16-14-19)32-18-20-7-2-1-3-8-20/h1-17H,18H2,(H,28,30)(H,29,31)/b27-17-
InChIKeyXMUSXTQEYUQDFZ-PKAZHMFMSA-N
MW423.47 g/mol
LogP4.51
Rot. Bonds6

About N-naphthalen-1-yl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide

N-naphthalen-1-yl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide (PubChem CID 6241082) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-naphthalen-1-yl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
PubChem CID6241082
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC NameN-naphthalen-1-yl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C26H21N3O3/c30-25(28-24-12-6-10-21-9-4-5-11-23(21)24)26(31)29-27-17-19-13-15-22(16-14-19)32-18-20-7-2-1-3-8-20/h1-17H,18H2,(H,28,30)(H,29,31)/b27-17-
InChIKeyXMUSXTQEYUQDFZ-PKAZHMFMSA-N
XLogP4.51
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.51
H-Bond Donors ≤ 52
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-naphthalen-1-yl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-naphthalen-1-yl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide (CID 6241082) is N-naphthalen-1-yl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-naphthalen-1-yl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-naphthalen-1-yl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide is O=C(N/N=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide?
The InChIKey is XMUSXTQEYUQDFZ-PKAZHMFMSA-N. The full InChI is InChI=1S/C26H21N3O3/c30-25(28-24-12-6-10-21-9-4-5-11-23(21)24)26(31)29-27-17-19-13-15-22(16-14-19)32-18-20-7-2-1-3-8-20/h1-17H,18H2,(H,28,30)(H,29,31)/b27-17-.
What are the key properties of N-naphthalen-1-yl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide?
N-naphthalen-1-yl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide has a molecular weight of 423.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6241082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).