N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide

C10H11N3O3 — CID 135821314

IUPACN'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C10H11N3O3/c1-11-9(15)10(16)13-12-6-7-2-4-8(14)5-3-7/h2-6,14H,1H3,(H,11,15)(H,13,16)/b12-6+
InChIKeyDSLXAQBNDDIBDR-WUXMJOGZSA-N
MW221.22 g/mol
LogP-0.41
Rot. Bonds2

About N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide

N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide (PubChem CID 135821314) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide
PubChem CID135821314
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC NameN'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C10H11N3O3/c1-11-9(15)10(16)13-12-6-7-2-4-8(14)5-3-7/h2-6,14H,1H3,(H,11,15)(H,13,16)/b12-6+
InChIKeyDSLXAQBNDDIBDR-WUXMJOGZSA-N
XLogP-0.41
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide
CID 94844116
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide
CID 4106726
N-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 135558983
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 135583538
N',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136801991
N'-[(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3615821
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136863405
N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 136793174
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135531553

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide?
The IUPAC name of N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide (CID 135821314) is N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide.
What is the SMILES notation for N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide?
The canonical SMILES for N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide is CNC(=O)C(=O)N/N=C/c1ccc(O)cc1.
What is the InChIKey of N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide?
The InChIKey is DSLXAQBNDDIBDR-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-11-9(15)10(16)13-12-6-7-2-4-8(14)5-3-7/h2-6,14H,1H3,(H,11,15)(H,13,16)/b12-6+.
What are the key properties of N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide?
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide has a molecular weight of 221.22 g/mol, XLogP of -0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide is sourced from PubChem (CID 135821314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).