N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide

C17H17N3O5 — CID 135554167

IUPACN-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(O)cc2)c1
InChIInChI=1S/C17H17N3O5/c1-24-13-7-8-15(25-2)14(9-13)19-16(22)17(23)20-18-10-11-3-5-12(21)6-4-11/h3-10,21H,1-2H3,(H,19,22)(H,20,23)/b18-10+
InChIKeyXMBRRHOJYWSKRU-VCHYOVAHSA-N
MW343.34 g/mol
LogP1.50
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide

N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 135554167) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
PubChem CID135554167
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(O)cc2)c1
InChIInChI=1S/C17H17N3O5/c1-24-13-7-8-15(25-2)14(9-13)19-16(22)17(23)20-18-10-11-3-5-12(21)6-4-11/h3-10,21H,1-2H3,(H,19,22)(H,20,23)/b18-10+
InChIKeyXMBRRHOJYWSKRU-VCHYOVAHSA-N
XLogP1.50
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-(2,5-dimethoxyphenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 6112689
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
CID 19661133
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 5335817
N-(2,4-dimethoxyphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 4559899
N'-[(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3615821
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 135583538
N-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4188628
[4-[[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 2013433
N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 4118036
N-(2,4-dimethoxyphenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
CID 19661572
N-(2-methoxy-5-methylphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
CID 94846472
N-(2,5-dimethoxyphenyl)-N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19661521

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide (CID 135554167) is N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide is COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(O)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is XMBRRHOJYWSKRU-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-24-13-7-8-15(25-2)14(9-13)19-16(22)17(23)20-18-10-11-3-5-12(21)6-4-11/h3-10,21H,1-2H3,(H,19,22)(H,20,23)/b18-10+.
What are the key properties of N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide?
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 343.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135554167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).