N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide

C19H21N3O5 — CID 4071709

IUPACN'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NN=Cc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C19H21N3O5/c1-25-15-6-4-13(5-7-15)11-20-18(23)19(24)22-21-12-14-10-16(26-2)8-9-17(14)27-3/h4-10,12H,11H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyUPYOQNBBFIUQQM-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.48
Rot. Bonds7

About N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide

N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 4071709) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
PubChem CID4071709
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NN=Cc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C19H21N3O5/c1-25-15-6-4-13(5-7-15)11-20-18(23)19(24)22-21-12-14-10-16(26-2)8-9-17(14)27-3/h4-10,12H,11H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyUPYOQNBBFIUQQM-UHFFFAOYSA-N
XLogP1.48
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.48
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'}

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Related Compounds

N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-methyloxamide
CID 126140196
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 135821327
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
N-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 5073412
2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6300942
N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 6876538
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 94846398
N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide
CID 19659942
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 126261566
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide
CID 8900282
N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
CID 126272820
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 8900870

Frequently Asked Questions

What is the IUPAC name of N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide (CID 4071709) is N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)NN=Cc2cc(OC)ccc2OC)cc1.
What is the InChIKey of N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide?
The InChIKey is UPYOQNBBFIUQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-25-15-6-4-13(5-7-15)11-20-18(23)19(24)22-21-12-14-10-16(26-2)8-9-17(14)27-3/h4-10,12H,11H2,1-3H3,(H,20,23)(H,22,24).
What are the key properties of N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide?
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 371.39 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 4071709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).