N-(2,6-diethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide

C22H27N3O3 — CID 8989212

IUPACN-(2,6-diethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1cccc(/C=N\NC(=O)C(=O)Nc2c(CC)cccc2CC)c1
InChIInChI=1S/C22H27N3O3/c1-4-13-28-19-12-7-9-16(14-19)15-23-25-22(27)21(26)24-20-17(5-2)10-8-11-18(20)6-3/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,26)(H,25,27)/b23-15-
InChIKeySQEYLHXYDPCRLG-HAHDFKILSA-N
MW381.48 g/mol
LogP3.69
Rot. Bonds8

About N-(2,6-diethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide

N-(2,6-diethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide (PubChem CID 8989212) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
PubChem CID8989212
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(2,6-diethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1cccc(/C=N\NC(=O)C(=O)Nc2c(CC)cccc2CC)c1
InChIInChI=1S/C22H27N3O3/c1-4-13-28-19-12-7-9-16(14-19)15-23-25-22(27)21(26)24-20-17(5-2)10-8-11-18(20)6-3/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,26)(H,25,27)/b23-15-
InChIKeySQEYLHXYDPCRLG-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-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989199
N-(4-methylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989208
N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989189
N-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989195
N'-[(Z)-(3-methoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8901425
N-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988802
N'-[(Z)-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126164295
N'-[(E)-(3,4-dichlorophenyl)methylideneamino]-N-(2,6-diethylphenyl)oxamide
CID 6877586
N-(2-ethylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988931
N-(4-butoxyphenyl)-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]oxamide
CID 126259138
N'-[(Z)-[3-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126260945
N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126278499

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2,6-diethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide (CID 8989212) is N-(2,6-diethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide is CCCOc1cccc(/C=N\NC(=O)C(=O)Nc2c(CC)cccc2CC)c1.
What is the InChIKey of N-(2,6-diethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide?
The InChIKey is SQEYLHXYDPCRLG-HAHDFKILSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-4-13-28-19-12-7-9-16(14-19)15-23-25-22(27)21(26)24-20-17(5-2)10-8-11-18(20)6-3/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,26)(H,25,27)/b23-15-.
What are the key properties of N-(2,6-diethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide?
N-(2,6-diethylphenyl)-N'-[(Z)-(3-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)-(3-propoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 8989212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).