N-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide

C20H22ClN3O4 — CID 4135098

IUPACN-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)cc1OCC
InChIInChI=1S/C20H22ClN3O4/c1-3-10-28-17-9-8-14(11-18(17)27-4-2)13-22-24-20(26)19(25)23-16-7-5-6-15(21)12-16/h5-9,11-13H,3-4,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyULUOHIOGCHNNMG-UHFFFAOYSA-N
MW403.87 g/mol
LogP3.62
Rot. Bonds8

About N-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide

N-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide (PubChem CID 4135098) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
PubChem CID4135098
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC NameN-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)cc1OCC
InChIInChI=1S/C20H22ClN3O4/c1-3-10-28-17-9-8-14(11-18(17)27-4-2)13-22-24-20(26)19(25)23-16-7-5-6-15(21)12-16/h5-9,11-13H,3-4,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyULUOHIOGCHNNMG-UHFFFAOYSA-N
XLogP3.62
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 53.62
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-(3-chlorophenyl)-N'-[(Z)-[3-ethoxy-4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126174886
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 126265658
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 126278758
N-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 4565395
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8900943
1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea
CID 110534056
4-[(Z)-[[2-(3-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxy-6-nitrophenolate
CID 8897281
N-(3,4-dichlorophenyl)-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 171979471
N-(3-bromophenyl)-N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4605611
1-(3-chlorophenyl)-3-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]urea
CID 110533106
N'-[(Z)-[3-ethoxy-4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126181039
N-(2-chlorophenyl)-N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]oxamide
CID 8931980

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide (CID 4135098) is N-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide is CCCOc1ccc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)cc1OCC.
What is the InChIKey of N-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide?
The InChIKey is ULUOHIOGCHNNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c1-3-10-28-17-9-8-14(11-18(17)27-4-2)13-22-24-20(26)19(25)23-16-7-5-6-15(21)12-16/h5-9,11-13H,3-4,10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide?
N-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide has a molecular weight of 403.87 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 4135098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).