N-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide

C15H22N2O4 — CID 7704038

IUPACN-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide
SMILESCC[C@@H](C)NC(=O)CO/N=C\c1cccc(OC)c1OC
InChIInChI=1S/C15H22N2O4/c1-5-11(2)17-14(18)10-21-16-9-12-7-6-8-13(19-3)15(12)20-4/h6-9,11H,5,10H2,1-4H3,(H,17,18)/b16-9-/t11-/m1/s1
InChIKeyQZZZFYXJDRMWAT-WIWNTQSISA-N
MW294.35 g/mol
LogP1.97
Rot. Bonds8

About N-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide

N-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide (PubChem CID 7704038) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide
PubChem CID7704038
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide
SMILESCC[C@@H](C)NC(=O)CO/N=C\c1cccc(OC)c1OC
InChIInChI=1S/C15H22N2O4/c1-5-11(2)17-14(18)10-21-16-9-12-7-6-8-13(19-3)15(12)20-4/h6-9,11H,5,10H2,1-4H3,(H,17,18)/b16-9-/t11-/m1/s1
InChIKeyQZZZFYXJDRMWAT-WIWNTQSISA-N
XLogP1.97
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.97
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-[(2R)-butan-2-yl]-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664433
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide
CID 7704045
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(4-ethylphenyl)acetamide
CID 7703851
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2-ethoxyphenyl)acetamide
CID 7703795
N-(2-chloro-4-methylphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7703823
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9354662
2-(2-formyl-6-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 61489932
ethyl 2-[[2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7704027
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-(4-methylpiperidin-1-yl)ethanone
CID 7703931
N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide
CID 100789348
N-propan-2-yl-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 78766744
N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide
CID 7919049

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide (CID 7704038) is N-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide is CC[C@@H](C)NC(=O)CO/N=C\c1cccc(OC)c1OC.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is QZZZFYXJDRMWAT-WIWNTQSISA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-11(2)17-14(18)10-21-16-9-12-7-6-8-13(19-3)15(12)20-4/h6-9,11H,5,10H2,1-4H3,(H,17,18)/b16-9-/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide?
N-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 294.35 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7704038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).