N-tert-butyl-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide

C14H19N3O4 — CID 135993331

IUPACN-tert-butyl-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cccc(/C=N/NC(=O)C(=O)NC(C)(C)C)c1O
InChIInChI=1S/C14H19N3O4/c1-14(2,3)16-12(19)13(20)17-15-8-9-6-5-7-10(21-4)11(9)18/h5-8,18H,1-4H3,(H,16,19)(H,17,20)/b15-8+
InChIKeyKBRWXGUUARXDAD-OVCLIPMQSA-N
MW293.32 g/mol
LogP0.77
Rot. Bonds3

About N-tert-butyl-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide

N-tert-butyl-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide (PubChem CID 135993331) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-tert-butyl-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-tert-butyl-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
PubChem CID135993331
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-tert-butyl-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cccc(/C=N/NC(=O)C(=O)NC(C)(C)C)c1O
InChIInChI=1S/C14H19N3O4/c1-14(2,3)16-12(19)13(20)17-15-8-9-6-5-7-10(21-4)11(9)18/h5-8,18H,1-4H3,(H,16,19)(H,17,20)/b15-8+
InChIKeyKBRWXGUUARXDAD-OVCLIPMQSA-N
XLogP0.77
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[2-[2-[(E)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 135549613
2-(1-azepanyl)-N'-(4-hydroxy-3-methoxybenzylidene)-2-oxoacetohydrazide
CID 135457602
2-(azepan-1-yl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-oxoacetohydrazide
CID 135457608
Piperidin-1-yl-acetic acid (3-ethoxy-4-hydroxy-benzylidene)-hydrazide
CID 135537550
N-[1-(2-Hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-propionamide
CID 135549589
N-[1-(2-Hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-2-m-tolyloxy-acetamide
CID 135648074
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
CID 135650553
Oxo-pyrrolidin-1-yl-acetic acid (2,3-dimethoxy-benzylidene)-hydrazide
CID 9591529
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)acetohydrazide
CID 135438957
N'-(2-hydroxy-3-methoxybenzylidene)-2-oxo-2-(1-pyrrolidinyl)acetohydrazide
CID 135446554
N,N'-bis[(E)-(2-hydroxy-3-methoxy-phenyl)methyleneamino]oxamide
CID 135460566
N'-[(Z)-(2-Hydroxy-3-methoxyphenyl)methylidene]-4-methyl-5-oxo-4,5-dihydro-1H-pyrazole-3-carbohydrazide
CID 135497932

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-tert-butyl-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide (CID 135993331) is N-tert-butyl-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-tert-butyl-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-tert-butyl-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide is COc1cccc(/C=N/NC(=O)C(=O)NC(C)(C)C)c1O.
What is the InChIKey of N-tert-butyl-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The InChIKey is KBRWXGUUARXDAD-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-14(2,3)16-12(19)13(20)17-15-8-9-6-5-7-10(21-4)11(9)18/h5-8,18H,1-4H3,(H,16,19)(H,17,20)/b15-8+.
What are the key properties of N-tert-butyl-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
N-tert-butyl-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide has a molecular weight of 293.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135993331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).