N-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide

C22H27N3O3 — CID 8988802

IUPACN-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccccc1/C=N\NC(=O)C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C22H27N3O3/c1-4-14-28-19-13-8-7-10-18(19)15-23-25-22(27)21(26)24-20-16(5-2)11-9-12-17(20)6-3/h7-13,15H,4-6,14H2,1-3H3,(H,24,26)(H,25,27)/b23-15-
InChIKeyQTEQWISDPGBREJ-HAHDFKILSA-N
MW381.48 g/mol
LogP3.69
Rot. Bonds8

About N-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide

N-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide (PubChem CID 8988802) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
PubChem CID8988802
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccccc1/C=N\NC(=O)C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C22H27N3O3/c1-4-14-28-19-13-8-7-10-18(19)15-23-25-22(27)21(26)24-20-16(5-2)11-9-12-17(20)6-3/h7-13,15H,4-6,14H2,1-3H3,(H,24,26)(H,25,27)/b23-15-
InChIKeyQTEQWISDPGBREJ-HAHDFKILSA-N
XLogP3.69
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.69
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-(4-ethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988796
N-(2-ethoxyphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988821
N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988803
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
N-(2,6-diethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989212
N-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988811
2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989584
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 4319718
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833649
N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 24819076
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide (CID 8988802) is N-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide is CCCOc1ccccc1/C=N\NC(=O)C(=O)Nc1c(CC)cccc1CC.
What is the InChIKey of N-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide?
The InChIKey is QTEQWISDPGBREJ-HAHDFKILSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-4-14-28-19-13-8-7-10-18(19)15-23-25-22(27)21(26)24-20-16(5-2)11-9-12-17(20)6-3/h7-13,15H,4-6,14H2,1-3H3,(H,24,26)(H,25,27)/b23-15-.
What are the key properties of N-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide?
N-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide has a molecular weight of 381.48 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 8988802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).