2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylcyclohexyl)acetamide

C19H26N2O3 — CID 3645330

IUPAC2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCCC1Oc2ccccc2N(CC(=O)NC2CCCCC2C)C1=O
InChIInChI=1S/C19H26N2O3/c1-3-16-19(23)21(15-10-6-7-11-17(15)24-16)12-18(22)20-14-9-5-4-8-13(14)2/h6-7,10-11,13-14,16H,3-5,8-9,12H2,1-2H3,(H,20,22)
InChIKeyRWBIZPPIUOHFLX-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.89
Rot. Bonds4

About 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylcyclohexyl)acetamide

2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylcyclohexyl)acetamide (PubChem CID 3645330) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylcyclohexyl)acetamide
PubChem CID3645330
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCCC1Oc2ccccc2N(CC(=O)NC2CCCCC2C)C1=O
InChIInChI=1S/C19H26N2O3/c1-3-16-19(23)21(15-10-6-7-11-17(15)24-16)12-18(22)20-14-9-5-4-8-13(14)2/h6-7,10-11,13-14,16H,3-5,8-9,12H2,1-2H3,(H,20,22)
InChIKeyRWBIZPPIUOHFLX-UHFFFAOYSA-N
XLogP2.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylcyclohexyl)acetamide (CID 3645330) is 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylcyclohexyl)acetamide is CCC1Oc2ccccc2N(CC(=O)NC2CCCCC2C)C1=O.
What is the InChIKey of 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylcyclohexyl)acetamide?
The InChIKey is RWBIZPPIUOHFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-16-19(23)21(15-10-6-7-11-17(15)24-16)12-18(22)20-14-9-5-4-8-13(14)2/h6-7,10-11,13-14,16H,3-5,8-9,12H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylcyclohexyl)acetamide?
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylcyclohexyl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 3645330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).