N-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide

C13H17N3O3 — CID 135558983

IUPACN-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
SMILESCC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C13H17N3O3/c1-13(2,3)15-11(18)12(19)16-14-8-9-4-6-10(17)7-5-9/h4-8,17H,1-3H3,(H,15,18)(H,16,19)/b14-8+
InChIKeyBBJPRCAJGHPPBX-RIYZIHGNSA-N
MW263.30 g/mol
LogP0.76
Rot. Bonds2

About N-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide

N-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 135558983) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
PubChem CID135558983
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
SMILESCC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C13H17N3O3/c1-13(2,3)15-11(18)12(19)16-14-8-9-4-6-10(17)7-5-9/h4-8,17H,1-3H3,(H,15,18)(H,16,19)/b14-8+
InChIKeyBBJPRCAJGHPPBX-RIYZIHGNSA-N
XLogP0.76
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.76
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'}

Analyze N-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135821314
1-tert-butyl-3-[(4-hydroxyphenyl)methylideneamino]thiourea
CID 2725308
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136863405
N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 136793174
N-tert-butyl-N'-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832282
N',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136801991
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 135583538
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-tert-butyloxamide
CID 94832283
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
N-(4-butoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 135821329

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide (CID 135558983) is N-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide is CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(O)cc1.
What is the InChIKey of N-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is BBJPRCAJGHPPBX-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(2,3)15-11(18)12(19)16-14-8-9-4-6-10(17)7-5-9/h4-8,17H,1-3H3,(H,15,18)(H,16,19)/b14-8+.
What are the key properties of N-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide?
N-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 263.30 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135558983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).