2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-phenylethyl)acetamide

C18H18N2O3 — CID 5308343

IUPAC2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CC1Oc2ccccc2NC1=O)NCCc1ccccc1
InChIInChI=1S/C18H18N2O3/c21-17(19-11-10-13-6-2-1-3-7-13)12-16-18(22)20-14-8-4-5-9-15(14)23-16/h1-9,16H,10-12H2,(H,19,21)(H,20,22)
InChIKeyXCVVJPHLAOAWHE-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.14
Rot. Bonds5

About 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-phenylethyl)acetamide

2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-phenylethyl)acetamide (PubChem CID 5308343) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-phenylethyl)acetamide
PubChem CID5308343
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CC1Oc2ccccc2NC1=O)NCCc1ccccc1
InChIInChI=1S/C18H18N2O3/c21-17(19-11-10-13-6-2-1-3-7-13)12-16-18(22)20-14-8-4-5-9-15(14)23-16/h1-9,16H,10-12H2,(H,19,21)(H,20,22)
InChIKeyXCVVJPHLAOAWHE-UHFFFAOYSA-N
XLogP2.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-phenylethyl)acetamide (CID 5308343) is 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-phenylethyl)acetamide is O=C(CC1Oc2ccccc2NC1=O)NCCc1ccccc1.
What is the InChIKey of 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is XCVVJPHLAOAWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17(19-11-10-13-6-2-1-3-7-13)12-16-18(22)20-14-8-4-5-9-15(14)23-16/h1-9,16H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-phenylethyl)acetamide?
2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 5308343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).