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

C19H23N3O3 — CID 8932118

IUPACN'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide
SMILESCCOc1ccc2ccccc2c1/C=N\NC(=O)C(=O)NCC(C)C
InChIInChI=1S/C19H23N3O3/c1-4-25-17-10-9-14-7-5-6-8-15(14)16(17)12-21-22-19(24)18(23)20-11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H,20,23)(H,22,24)/b21-12-
InChIKeyICOSKMUXUGHRMQ-MTJSOVHGSA-N
MW341.41 g/mol
LogP2.46
Rot. Bonds6

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

N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide (PubChem CID 8932118) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide
PubChem CID8932118
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide
SMILESCCOc1ccc2ccccc2c1/C=N\NC(=O)C(=O)NCC(C)C
InChIInChI=1S/C19H23N3O3/c1-4-25-17-10-9-14-7-5-6-8-15(14)16(17)12-21-22-19(24)18(23)20-11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H,20,23)(H,22,24)/b21-12-
InChIKeyICOSKMUXUGHRMQ-MTJSOVHGSA-N
XLogP2.46
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.46
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

N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8932181
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 8932141
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide
CID 8932160
N-(3,4-dimethylphenyl)-N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]oxamide
CID 8932085
N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
CID 46741717
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 5334451
(2S)-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 871144
2-(azepan-1-yl)-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-2-oxoacetamide
CID 3737629
1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea
CID 926829
N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide
CID 8901324
N-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 46496021
N'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide
CID 8902463

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide (CID 8932118) is N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide is CCOc1ccc2ccccc2c1/C=N\NC(=O)C(=O)NCC(C)C.
What is the InChIKey of N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide?
The InChIKey is ICOSKMUXUGHRMQ-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-25-17-10-9-14-7-5-6-8-15(14)16(17)12-21-22-19(24)18(23)20-11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H,20,23)(H,22,24)/b21-12-.
What are the key properties of N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide?
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide has a molecular weight of 341.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 8932118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).