2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide

C18H16N2O3 — CID 704820

IUPAC2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C18H16N2O3/c1-11(2)16(21)19-13-9-7-12(8-10-13)17-20-15-6-4-3-5-14(15)18(22)23-17/h3-11H,1-2H3,(H,19,21)
InChIKeyCEYYMKAFNNDWMD-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.45
Rot. Bonds3

About 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide

2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide (PubChem CID 704820) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide
PubChem CID704820
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C18H16N2O3/c1-11(2)16(21)19-13-9-7-12(8-10-13)17-20-15-6-4-3-5-14(15)18(22)23-17/h3-11H,1-2H3,(H,19,21)
InChIKeyCEYYMKAFNNDWMD-UHFFFAOYSA-N
XLogP3.45
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide (CID 704820) is 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide is CC(C)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1.
What is the InChIKey of 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide?
The InChIKey is CEYYMKAFNNDWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11(2)16(21)19-13-9-7-12(8-10-13)17-20-15-6-4-3-5-14(15)18(22)23-17/h3-11H,1-2H3,(H,19,21).
What are the key properties of 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide?
2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide has a molecular weight of 308.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide is sourced from PubChem (CID 704820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).