N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide

C17H19N3O2 — CID 46741717

IUPACN-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
SMILESCC(C)CNC(=O)C(=O)N/N=C/c1cccc2ccccc12
InChIInChI=1S/C17H19N3O2/c1-12(2)10-18-16(21)17(22)20-19-11-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11-12H,10H2,1-2H3,(H,18,21)(H,20,22)/b19-11+
InChIKeyUSABUEPMTJTEMJ-YBFXNURJSA-N
MW297.36 g/mol
LogP2.06
Rot. Bonds4

About N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide

N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide (PubChem CID 46741717) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
PubChem CID46741717
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
SMILESCC(C)CNC(=O)C(=O)N/N=C/c1cccc2ccccc12
InChIInChI=1S/C17H19N3O2/c1-12(2)10-18-16(21)17(22)20-19-11-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11-12H,10H2,1-2H3,(H,18,21)(H,20,22)/b19-11+
InChIKeyUSABUEPMTJTEMJ-YBFXNURJSA-N
XLogP2.06
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 46741715
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide
CID 135814046
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 8932118
2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide
CID 5046667
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 4270440
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 8930390
ethyl 4-[[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 94846550
N'-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 94833409
N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
CID 5333361
N-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
CID 5333273

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide?
The IUPAC name of N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide (CID 46741717) is N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide.
What is the SMILES notation for N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide?
The canonical SMILES for N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide is CC(C)CNC(=O)C(=O)N/N=C/c1cccc2ccccc12.
What is the InChIKey of N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide?
The InChIKey is USABUEPMTJTEMJ-YBFXNURJSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12(2)10-18-16(21)17(22)20-19-11-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11-12H,10H2,1-2H3,(H,18,21)(H,20,22)/b19-11+.
What are the key properties of N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide?
N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide has a molecular weight of 297.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide is sourced from PubChem (CID 46741717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).