N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide

C10H11N3O3 — CID 135531553

IUPACN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C10H11N3O3/c1-11-9(15)10(16)13-12-6-7-4-2-3-5-8(7)14/h2-6,14H,1H3,(H,11,15)(H,13,16)/b12-6+
InChIKeyRKZZWDNGSPPUSL-WUXMJOGZSA-N
MW221.22 g/mol
LogP-0.41
Rot. Bonds2

About N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide

N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide (PubChem CID 135531553) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide
PubChem CID135531553
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC NameN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C10H11N3O3/c1-11-9(15)10(16)13-12-6-7-4-2-3-5-8(7)14/h2-6,14H,1H3,(H,11,15)(H,13,16)/b12-6+
InChIKeyRKZZWDNGSPPUSL-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_A(479)', '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-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 135685457
N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
CID 5041852
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide
CID 3596715
N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136909047
2-benzylidene-N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide
CID 171981258
(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135688184
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135821314
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 139163644
2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol
CID 166987250
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide?
The IUPAC name of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide (CID 135531553) is N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide.
What is the SMILES notation for N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide?
The canonical SMILES for N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide is CNC(=O)C(=O)N/N=C/c1ccccc1O.
What is the InChIKey of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide?
The InChIKey is RKZZWDNGSPPUSL-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-11-9(15)10(16)13-12-6-7-4-2-3-5-8(7)14/h2-6,14H,1H3,(H,11,15)(H,13,16)/b12-6+.
What are the key properties of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide?
N'-[(E)-(2-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)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide is sourced from PubChem (CID 135531553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).