N',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide

C13H17N3O3 — CID 136801991

IUPACN',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
SMILESCCN(CC)C(=O)C(=O)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C13H17N3O3/c1-3-16(4-2)13(19)12(18)15-14-9-10-5-7-11(17)8-6-10/h5-9,17H,3-4H2,1-2H3,(H,15,18)/b14-9-
InChIKeyBVXUQOIVUVLRRD-ZROIWOOFSA-N
MW263.30 g/mol
LogP0.71
Rot. Bonds4

About N',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide

N',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 136801991) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
PubChem CID136801991
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
SMILESCCN(CC)C(=O)C(=O)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C13H17N3O3/c1-3-16(4-2)13(19)12(18)15-14-9-10-5-7-11(17)8-6-10/h5-9,17H,3-4H2,1-2H3,(H,15,18)/b14-9-
InChIKeyBVXUQOIVUVLRRD-ZROIWOOFSA-N
XLogP0.71
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
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',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide
CID 5115674
N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 6391153
N',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6378231
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135821314
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
N-[(4-hydroxyphenyl)methylideneamino]pentanamide
CID 4590132
N-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 135558983
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
N',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 94846890
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 135583538
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide (CID 136801991) is N',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide is CCN(CC)C(=O)C(=O)N/N=C\c1ccc(O)cc1.
What is the InChIKey of N',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is BVXUQOIVUVLRRD-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-16(4-2)13(19)12(18)15-14-9-10-5-7-11(17)8-6-10/h5-9,17H,3-4H2,1-2H3,(H,15,18)/b14-9-.
What are the key properties of N',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide?
N',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 263.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 136801991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).