potassium 2-(3,7-dihydro-2H-1,4-benzoxazin-7-id-4-yl)-N-propan-2-ylacetamide

C13H17KN2O2 — CID 167447377

IUPACpotassium 2-(3,7-dihydro-2H-1,4-benzoxazin-7-id-4-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCOc2c[c-]ccc21.[K+]
InChIInChI=1S/C13H17N2O2.K/c1-10(2)14-13(16)9-15-7-8-17-12-6-4-3-5-11(12)15;/h3,5-6,10H,7-9H2,1-2H3,(H,14,16);/q-1;+1
InChIKeyLAHLQMANGUFYHC-UHFFFAOYSA-N
MW272.39 g/mol
LogP-1.79
Rot. Bonds3

About potassium 2-(3,7-dihydro-2H-1,4-benzoxazin-7-id-4-yl)-N-propan-2-ylacetamide

potassium 2-(3,7-dihydro-2H-1,4-benzoxazin-7-id-4-yl)-N-propan-2-ylacetamide (PubChem CID 167447377) has the molecular formula C13H17KN2O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is potassium 2-(3,7-dihydro-2H-1,4-benzoxazin-7-id-4-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Namepotassium 2-(3,7-dihydro-2H-1,4-benzoxazin-7-id-4-yl)-N-propan-2-ylacetamide
PubChem CID167447377
Molecular FormulaC13H17KN2O2
Molecular Weight272.39 g/mol
Exact Mass272.09
IUPAC Namepotassium 2-(3,7-dihydro-2H-1,4-benzoxazin-7-id-4-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCOc2c[c-]ccc21.[K+]
InChIInChI=1S/C13H17N2O2.K/c1-10(2)14-13(16)9-15-7-8-17-12-6-4-3-5-11(12)15;/h3,5-6,10H,7-9H2,1-2H3,(H,14,16);/q-1;+1
InChIKeyLAHLQMANGUFYHC-UHFFFAOYSA-N
XLogP-1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 5-1.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 2-(3,7-dihydro-2H-1,4-benzoxazin-7-id-4-yl)-N-propan-2-ylacetamide?
The IUPAC name of potassium 2-(3,7-dihydro-2H-1,4-benzoxazin-7-id-4-yl)-N-propan-2-ylacetamide (CID 167447377) is potassium 2-(3,7-dihydro-2H-1,4-benzoxazin-7-id-4-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for potassium 2-(3,7-dihydro-2H-1,4-benzoxazin-7-id-4-yl)-N-propan-2-ylacetamide?
The canonical SMILES for potassium 2-(3,7-dihydro-2H-1,4-benzoxazin-7-id-4-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCOc2c[c-]ccc21.[K+].
What is the InChIKey of potassium 2-(3,7-dihydro-2H-1,4-benzoxazin-7-id-4-yl)-N-propan-2-ylacetamide?
The InChIKey is LAHLQMANGUFYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N2O2.K/c1-10(2)14-13(16)9-15-7-8-17-12-6-4-3-5-11(12)15;/h3,5-6,10H,7-9H2,1-2H3,(H,14,16);/q-1;+1.
What are the key properties of potassium 2-(3,7-dihydro-2H-1,4-benzoxazin-7-id-4-yl)-N-propan-2-ylacetamide?
potassium 2-(3,7-dihydro-2H-1,4-benzoxazin-7-id-4-yl)-N-propan-2-ylacetamide has a molecular weight of 272.39 g/mol, XLogP of -1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(3,7-dihydro-2H-1,4-benzoxazin-7-id-4-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 167447377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).