2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide

C20H22N2O3 — CID 3674095

IUPAC2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCCC1Oc2ccccc2N(CC(=O)NCc2ccc(C)cc2)C1=O
InChIInChI=1S/C20H22N2O3/c1-3-17-20(24)22(16-6-4-5-7-18(16)25-17)13-19(23)21-12-15-10-8-14(2)9-11-15/h4-11,17H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyUXNKYYUBFKYNET-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.82
Rot. Bonds5

About 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide

2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 3674095) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID3674095
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCCC1Oc2ccccc2N(CC(=O)NCc2ccc(C)cc2)C1=O
InChIInChI=1S/C20H22N2O3/c1-3-17-20(24)22(16-6-4-5-7-18(16)25-17)13-19(23)21-12-15-10-8-14(2)9-11-15/h4-11,17H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyUXNKYYUBFKYNET-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.82
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-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 3674095) is 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide is CCC1Oc2ccccc2N(CC(=O)NCc2ccc(C)cc2)C1=O.
What is the InChIKey of 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is UXNKYYUBFKYNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-17-20(24)22(16-6-4-5-7-18(16)25-17)13-19(23)21-12-15-10-8-14(2)9-11-15/h4-11,17H,3,12-13H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.82, 5 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-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 3674095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).