N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide

C20H23N3O3 — CID 8989189

IUPACN-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1cccc(/C=N\NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C20H23N3O3/c1-4-10-26-18-7-5-6-16(12-18)13-21-23-20(25)19(24)22-17-9-8-14(2)15(3)11-17/h5-9,11-13H,4,10H2,1-3H3,(H,22,24)(H,23,25)/b21-13-
InChIKeyXKPSSWRHTGAIMJ-BKUYFWCQSA-N
MW353.42 g/mol
LogP3.18
Rot. Bonds6

About N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide

N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide (PubChem CID 8989189) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
PubChem CID8989189
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1cccc(/C=N\NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C20H23N3O3/c1-4-10-26-18-7-5-6-16(12-18)13-21-23-20(25)19(24)22-17-9-8-14(2)15(3)11-17/h5-9,11-13H,4,10H2,1-3H3,(H,22,24)(H,23,25)/b21-13-
InChIKeyXKPSSWRHTGAIMJ-BKUYFWCQSA-N
XLogP3.18
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.18
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-(3,4-dimethylphenyl)-N'-[(Z)-(3-ethoxyphenyl)methylideneamino]oxamide
CID 8932223
N-(4-methylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989208
N'-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126169306
N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989199
N'-[(Z)-(3-methoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8901425
N-(2,6-diethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989212
N-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide
CID 5021212
N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126161944
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8932255
N-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989195
N-(3-methylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988901
N'-[(Z)-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126164295

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide (CID 8989189) is N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide is CCCOc1cccc(/C=N\NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide?
The InChIKey is XKPSSWRHTGAIMJ-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-10-26-18-7-5-6-16(12-18)13-21-23-20(25)19(24)22-17-9-8-14(2)15(3)11-17/h5-9,11-13H,4,10H2,1-3H3,(H,22,24)(H,23,25)/b21-13-.
What are the key properties of N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide?
N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide has a molecular weight of 353.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 8989189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).