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

C20H24N2O2 — CID 4668363

IUPAC2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CN1CCOc2ccccc21
InChIInChI=1S/C20H24N2O2/c1-16(11-12-17-7-3-2-4-8-17)21-20(23)15-22-13-14-24-19-10-6-5-9-18(19)22/h2-10,16H,11-15H2,1H3,(H,21,23)
InChIKeyBFNYBPCFKNRUMM-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.02
Rot. Bonds6

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

2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 4668363) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID4668363
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CN1CCOc2ccccc21
InChIInChI=1S/C20H24N2O2/c1-16(11-12-17-7-3-2-4-8-17)21-20(23)15-22-13-14-24-19-10-6-5-9-18(19)22/h2-10,16H,11-15H2,1H3,(H,21,23)
InChIKeyBFNYBPCFKNRUMM-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide (CID 4668363) is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)CN1CCOc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is BFNYBPCFKNRUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16(11-12-17-7-3-2-4-8-17)21-20(23)15-22-13-14-24-19-10-6-5-9-18(19)22/h2-10,16H,11-15H2,1H3,(H,21,23).
What are the key properties of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide?
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 324.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 4668363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).