N-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

C19H20N2O3 — CID 51427064

IUPACN-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESCc1ccc2c(c1)NC(=O)[C@H](CC(=O)Nc1ccc(C)c(C)c1)O2
InChIInChI=1S/C19H20N2O3/c1-11-4-7-16-15(8-11)21-19(23)17(24-16)10-18(22)20-14-6-5-12(2)13(3)9-14/h4-9,17H,10H2,1-3H3,(H,20,22)(H,21,23)/t17-/m0/s1
InChIKeyAIOUGNKBWGAUCD-KRWDZBQOSA-N
MW324.38 g/mol
LogP3.34
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

N-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (PubChem CID 51427064) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
PubChem CID51427064
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESCc1ccc2c(c1)NC(=O)[C@H](CC(=O)Nc1ccc(C)c(C)c1)O2
InChIInChI=1S/C19H20N2O3/c1-11-4-7-16-15(8-11)21-19(23)17(24-16)10-18(22)20-14-6-5-12(2)13(3)9-14/h4-9,17H,10H2,1-3H3,(H,20,22)(H,21,23)/t17-/m0/s1
InChIKeyAIOUGNKBWGAUCD-KRWDZBQOSA-N
XLogP3.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(4-methylphenyl)acetamide
CID 51409612
N-(3,4-dimethoxyphenyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768978
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881714
N-(3-fluorophenyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768967
ethyl 3-[[2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]benzoate
CID 20881689
2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 75769095
2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 75769965
2-(7-chloro-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 50806706
N-(3-ethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881642
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75769952
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 92667632
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40642850

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (CID 51427064) is N-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)Nc1ccc(C)c(C)c1)O2.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The InChIKey is AIOUGNKBWGAUCD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-11-4-7-16-15(8-11)21-19(23)17(24-16)10-18(22)20-14-6-5-12(2)13(3)9-14/h4-9,17H,10H2,1-3H3,(H,20,22)(H,21,23)/t17-/m0/s1.
What are the key properties of N-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is sourced from PubChem (CID 51427064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).