N-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide

C21H24ClN3O4 — CID 4565395

IUPACN-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccc(C=NNC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1OCC
InChIInChI=1S/C21H24ClN3O4/c1-4-10-29-18-9-7-15(11-19(18)28-5-2)13-23-25-21(27)20(26)24-17-12-16(22)8-6-14(17)3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyPQSBBHHXVLNKNM-UHFFFAOYSA-N
MW417.89 g/mol
LogP3.92
Rot. Bonds8

About N-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide

N-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide (PubChem CID 4565395) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
PubChem CID4565395
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC NameN-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccc(C=NNC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1OCC
InChIInChI=1S/C21H24ClN3O4/c1-4-10-29-18-9-7-15(11-19(18)28-5-2)13-23-25-21(27)20(26)24-17-12-16(22)8-6-14(17)3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyPQSBBHHXVLNKNM-UHFFFAOYSA-N
XLogP3.92
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 4594716
N'-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(2,5-dimethylphenyl)oxamide
CID 3371098
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-ethyloxamide
CID 126175981
N-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 4135098
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6302384
N-(4-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 3105099
N-(2-chlorophenyl)-N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]oxamide
CID 8931980
[4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
CID 5218670
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 126261746
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 2071575
N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 21211563
N-butyl-N'-[(Z)-[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 126167062

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide (CID 4565395) is N-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide is CCCOc1ccc(C=NNC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1OCC.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide?
The InChIKey is PQSBBHHXVLNKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-4-10-29-18-9-7-15(11-19(18)28-5-2)13-23-25-21(27)20(26)24-17-12-16(22)8-6-14(17)3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide?
N-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide has a molecular weight of 417.89 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 4565395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).