2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide

C19H20N2O3 — CID 3225025

IUPAC2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)Nc1ccccc1C)C(=O)C(C)O2
InChIInChI=1S/C19H20N2O3/c1-12-8-9-17-16(10-12)21(19(23)14(3)24-17)11-18(22)20-15-7-5-4-6-13(15)2/h4-10,14H,11H2,1-3H3,(H,20,22)
InChIKeyFALYUSMQFZIBLW-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.06
Rot. Bonds3

About 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide

2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide (PubChem CID 3225025) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide
PubChem CID3225025
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)Nc1ccccc1C)C(=O)C(C)O2
InChIInChI=1S/C19H20N2O3/c1-12-8-9-17-16(10-12)21(19(23)14(3)24-17)11-18(22)20-15-7-5-4-6-13(15)2/h4-10,14H,11H2,1-3H3,(H,20,22)
InChIKeyFALYUSMQFZIBLW-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 23409301
N-cyclopropyl-2-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 95051566
N-(2-aminoethyl)-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 82032385
2-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]-N,N-dimethylacetamide
CID 95051568
(2R)-2,6-dimethyl-4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 1431536
ethyl 2-[(2S)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate
CID 7242054
2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
CID 23409985
N-(3-chloro-2-methylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23409254
2-(6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-methylphenyl)acetamide
CID 84562509
2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide
CID 20908997
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 23410212
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 3224977

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide (CID 3225025) is 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide is Cc1ccc2c(c1)N(CC(=O)Nc1ccccc1C)C(=O)C(C)O2.
What is the InChIKey of 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is FALYUSMQFZIBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-8-9-17-16(10-12)21(19(23)14(3)24-17)11-18(22)20-15-7-5-4-6-13(15)2/h4-10,14H,11H2,1-3H3,(H,20,22).
What are the key properties of 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide?
2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 3225025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).