N-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide

C13H20N2O3S — CID 6376334

IUPACN-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
SMILESCCC(COC)NC(=O)CO/N=C(/C)c1cccs1
InChIInChI=1S/C13H20N2O3S/c1-4-11(8-17-3)14-13(16)9-18-15-10(2)12-6-5-7-19-12/h5-7,11H,4,8-9H2,1-3H3,(H,14,16)/b15-10-
InChIKeyCOVVYMKSDIPQSC-GDNBJRDFSA-N
MW284.38 g/mol
LogP2.03
Rot. Bonds8

About N-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide

N-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide (PubChem CID 6376334) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
PubChem CID6376334
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
SMILESCCC(COC)NC(=O)CO/N=C(/C)c1cccs1
InChIInChI=1S/C13H20N2O3S/c1-4-11(8-17-3)14-13(16)9-18-15-10(2)12-6-5-7-19-12/h5-7,11H,4,8-9H2,1-3H3,(H,14,16)/b15-10-
InChIKeyCOVVYMKSDIPQSC-GDNBJRDFSA-N
XLogP2.03
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,6-diethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827833
N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410038
N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide
CID 4280753
N-(4-methylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410197
N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5452515
methyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate
CID 6375482
N-[(4-methoxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 4149089
N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827694
N-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 3348559
N-(oxolan-2-ylmethyl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6376286
N-(1-methoxybutan-2-yl)propanamide
CID 64590697
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide?
The IUPAC name of N-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide (CID 6376334) is N-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide?
The canonical SMILES for N-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide is CCC(COC)NC(=O)CO/N=C(/C)c1cccs1.
What is the InChIKey of N-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide?
The InChIKey is COVVYMKSDIPQSC-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-11(8-17-3)14-13(16)9-18-15-10(2)12-6-5-7-19-12/h5-7,11H,4,8-9H2,1-3H3,(H,14,16)/b15-10-.
What are the key properties of N-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide?
N-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide has a molecular weight of 284.38 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide is sourced from PubChem (CID 6376334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).