N'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide

C16H17N3O3 — CID 9120788

IUPACN'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide
SMILESCCCOc1ccc2ccccc2c1/C=N\NC(=O)C(N)=O
InChIInChI=1S/C16H17N3O3/c1-2-9-22-14-8-7-11-5-3-4-6-12(11)13(14)10-18-19-16(21)15(17)20/h3-8,10H,2,9H2,1H3,(H2,17,20)(H,19,21)/b18-10-
InChIKeyXUTWYFAXLRDEAA-ZDLGFXPLSA-N
MW299.33 g/mol
LogP1.56
Rot. Bonds5

About N'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide

N'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide (PubChem CID 9120788) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide
PubChem CID9120788
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide
SMILESCCCOc1ccc2ccccc2c1/C=N\NC(=O)C(N)=O
InChIInChI=1S/C16H17N3O3/c1-2-9-22-14-8-7-11-5-3-4-6-12(11)13(14)10-18-19-16(21)15(17)20/h3-8,10H,2,9H2,1H3,(H2,17,20)(H,19,21)/b18-10-
InChIKeyXUTWYFAXLRDEAA-ZDLGFXPLSA-N
XLogP1.56
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.56
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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Related Compounds

2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
CID 9016239
2-(4-methoxyphenyl)-N-[(E)-(2-propoxynaphthalen-1-yl)methylideneamino]acetamide
CID 21370849
[[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea
CID 168535833
N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 2643236
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
CID 133169592
2-methoxy-4-methyl-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
CID 126017623
N'-(2-fluorophenyl)-N'-[(2-propoxynaphthalen-1-yl)methylideneamino]propanediamide
CID 53431762
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3455562
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 5151939
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 8932141
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 8932118
(1S,6S,7R)-1-methyl-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 126050744

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide?
The IUPAC name of N'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide (CID 9120788) is N'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide.
What is the SMILES notation for N'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide?
The canonical SMILES for N'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide is CCCOc1ccc2ccccc2c1/C=N\NC(=O)C(N)=O.
What is the InChIKey of N'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide?
The InChIKey is XUTWYFAXLRDEAA-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-9-22-14-8-7-11-5-3-4-6-12(11)13(14)10-18-19-16(21)15(17)20/h3-8,10H,2,9H2,1H3,(H2,17,20)(H,19,21)/b18-10-.
What are the key properties of N'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide?
N'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide has a molecular weight of 299.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide is sourced from PubChem (CID 9120788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).