N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide

C26H27N3O5 — CID 21212848

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1OC
InChIInChI=1S/C26H27N3O5/c1-32-23-12-11-19(16-24(23)33-2)13-14-27-25(30)26(31)29-28-17-21-9-6-10-22(15-21)34-18-20-7-4-3-5-8-20/h3-12,15-17H,13-14,18H2,1-2H3,(H,27,30)(H,29,31)/b28-17+
InChIKeyGCAODOYXTGLWPR-OGLMXYFKSA-N
MW461.52 g/mol
LogP3.09
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide (PubChem CID 21212848) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
PubChem CID21212848
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1OC
InChIInChI=1S/C26H27N3O5/c1-32-23-12-11-19(16-24(23)33-2)13-14-27-25(30)26(31)29-28-17-21-9-6-10-22(15-21)34-18-20-7-4-3-5-8-20/h3-12,15-17H,13-14,18H2,1-2H3,(H,27,30)(H,29,31)/b28-17+
InChIKeyGCAODOYXTGLWPR-OGLMXYFKSA-N
XLogP3.09
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 126170410
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126274895
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide
CID 8900282
N'-[(Z)-[3-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 126171298
N'-[(Z)-[3-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 126158795
N'-[(Z)-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 126156587
4-[(Z)-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 6326501
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985428
N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126329870
N-(4-ethylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3300834
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-fluorophenyl)methylideneamino]oxamide
CID 2250985
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988782

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide (CID 21212848) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide is COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide?
The InChIKey is GCAODOYXTGLWPR-OGLMXYFKSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-32-23-12-11-19(16-24(23)33-2)13-14-27-25(30)26(31)29-28-17-21-9-6-10-22(15-21)34-18-20-7-4-3-5-8-20/h3-12,15-17H,13-14,18H2,1-2H3,(H,27,30)(H,29,31)/b28-17+.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide has a molecular weight of 461.52 g/mol, XLogP of 3.09, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 21212848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).