3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide

C19H20N2O4 — CID 110778123

IUPAC3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C19H20N2O4/c1-21-15-11-14(8-9-17(15)25-12-19(21)23)20-18(22)10-7-13-5-3-4-6-16(13)24-2/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,20,22)
InChIKeyXAJJVWIUTYQAJV-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.62
Rot. Bonds5

About 3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide

3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide (PubChem CID 110778123) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
PubChem CID110778123
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C19H20N2O4/c1-21-15-11-14(8-9-17(15)25-12-19(21)23)20-18(22)10-7-13-5-3-4-6-16(13)24-2/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,20,22)
InChIKeyXAJJVWIUTYQAJV-UHFFFAOYSA-N
XLogP2.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 115162804
3-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide
CID 110412637
4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 82501321
3-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)propanamide
CID 110729242
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
CID 110778134
2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110778138
2-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide
CID 110729427
N-(3,4-dimethylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770445
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide
CID 110778369
2-(2,4-dimethoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)acetamide
CID 84554768
(2R)-2-(2-fluorophenoxy)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 51583881
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide (CID 110778123) is 3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide is COc1ccccc1CCC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is XAJJVWIUTYQAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-21-15-11-14(8-9-17(15)25-12-19(21)23)20-18(22)10-7-13-5-3-4-6-16(13)24-2/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,20,22).
What are the key properties of 3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide?
3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 110778123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).