2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide

C13H18N2O3 — CID 5214843

IUPAC2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCOc2ccccc21
InChIInChI=1S/C13H18N2O3/c1-17-8-6-14-13(16)10-15-7-9-18-12-5-3-2-4-11(12)15/h2-5H,6-10H2,1H3,(H,14,16)
InChIKeyPSXVDMNFKGQLDW-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.65
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide

2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 5214843) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide
PubChem CID5214843
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCOc2ccccc21
InChIInChI=1S/C13H18N2O3/c1-17-8-6-14-13(16)10-15-7-9-18-12-5-3-2-4-11(12)15/h2-5H,6-10H2,1H3,(H,14,16)
InChIKeyPSXVDMNFKGQLDW-UHFFFAOYSA-N
XLogP0.65
TPSA50.80 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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide (CID 5214843) is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCOc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is PSXVDMNFKGQLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-8-6-14-13(16)10-15-7-9-18-12-5-3-2-4-11(12)15/h2-5H,6-10H2,1H3,(H,14,16).
What are the key properties of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide?
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 5214843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).