N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide

C13H20N2O2S — CID 78767027

IUPACN,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide
SMILESCC(C)N(C(=O)CON=Cc1cccs1)C(C)C
InChIInChI=1S/C13H20N2O2S/c1-10(2)15(11(3)4)13(16)9-17-14-8-12-6-5-7-18-12/h5-8,10-11H,9H2,1-4H3
InChIKeySEBNGPFFTYNGNM-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.74
Rot. Bonds6

About N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide

N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide (PubChem CID 78767027) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide
PubChem CID78767027
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide
SMILESCC(C)N(C(=O)CON=Cc1cccs1)C(C)C
InChIInChI=1S/C13H20N2O2S/c1-10(2)15(11(3)4)13(16)9-17-14-8-12-6-5-7-18-12/h5-8,10-11H,9H2,1-4H3
InChIKeySEBNGPFFTYNGNM-UHFFFAOYSA-N
XLogP2.74
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide
CID 75265020
(E)-N-ethoxy-1-thiophen-2-ylmethanimine
CID 11344134
1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone
CID 75981058
1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone
CID 75981057
(thiophen-2-ylmethylideneamino) acetate
CID 90903453
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(thiophen-2-ylmethylideneamino)oxyacetamide
CID 3963431
N-[2-(2-methoxyphenyl)ethyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide
CID 134042819
N-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide
CID 42966966
N-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide
CID 46677751
N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide
CID 46697978
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyethanone
CID 51228020
3-methyl-2-(thiophen-2-ylmethylideneamino)butanoic acid
CID 102073340

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide?
The IUPAC name of N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide (CID 78767027) is N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide.
What is the SMILES notation for N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide?
The canonical SMILES for N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide is CC(C)N(C(=O)CON=Cc1cccs1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide?
The InChIKey is SEBNGPFFTYNGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(2)15(11(3)4)13(16)9-17-14-8-12-6-5-7-18-12/h5-8,10-11H,9H2,1-4H3.
What are the key properties of N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide?
N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide has a molecular weight of 268.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide is sourced from PubChem (CID 78767027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).