2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide

C13H18N2O3 — CID 24704040

IUPAC2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide
SMILESCC/C(=N\O)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C13H18N2O3/c1-4-11(14-17)10-7-5-6-8-12(10)18-9-13(16)15(2)3/h5-8,17H,4,9H2,1-3H3/b14-11+
InChIKeyDLEZJZVNOJDKOJ-SDNWHVSQSA-N
MW250.30 g/mol
LogP1.74
Rot. Bonds5

About 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide

2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide (PubChem CID 24704040) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide
PubChem CID24704040
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide
SMILESCC/C(=N\O)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C13H18N2O3/c1-4-11(14-17)10-7-5-6-8-12(10)18-9-13(16)15(2)3/h5-8,17H,4,9H2,1-3H3/b14-11+
InChIKeyDLEZJZVNOJDKOJ-SDNWHVSQSA-N
XLogP1.74
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide (CID 24704040) is 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide is CC/C(=N\O)c1ccccc1OCC(=O)N(C)C.
What is the InChIKey of 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide?
The InChIKey is DLEZJZVNOJDKOJ-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-11(14-17)10-7-5-6-8-12(10)18-9-13(16)15(2)3/h5-8,17H,4,9H2,1-3H3/b14-11+.
What are the key properties of 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide?
2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 250.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 24704040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).