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

C19H20N2O3 — CID 3224951

IUPACN-(2,6-dimethylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1C(=O)C(C)Oc2ccccc21
InChIInChI=1S/C19H20N2O3/c1-12-7-6-8-13(2)18(12)20-17(22)11-21-15-9-4-5-10-16(15)24-14(3)19(21)23/h4-10,14H,11H2,1-3H3,(H,20,22)
InChIKeyGYSRHYYQKOANPV-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.06
Rot. Bonds3

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

N-(2,6-dimethylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 3224951) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID3224951
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(2,6-dimethylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1C(=O)C(C)Oc2ccccc21
InChIInChI=1S/C19H20N2O3/c1-12-7-6-8-13(2)18(12)20-17(22)11-21-15-9-4-5-10-16(15)24-14(3)19(21)23/h4-10,14H,11H2,1-3H3,(H,20,22)
InChIKeyGYSRHYYQKOANPV-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

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CID 90303
4-(2-Piperidin-1-ylethyl)-7-propyl-1,4-benzoxazin-3-one
CID 59630032
2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
N-(4-methylphenyl)-2-[methyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide
CID 4790602
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
4-Benzyl-8-(piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 10019089
7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10573576
7-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10809876
4-(4-Methoxy-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1431724
2-(2-Ethyl-6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3155043
N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 31092
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(o-tolyloxy)ethanone
CID 724133

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 3224951) is N-(2,6-dimethylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is Cc1cccc(C)c1NC(=O)CN1C(=O)C(C)Oc2ccccc21.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is GYSRHYYQKOANPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-7-6-8-13(2)18(12)20-17(22)11-21-15-9-4-5-10-16(15)24-14(3)19(21)23/h4-10,14H,11H2,1-3H3,(H,20,22).
What are the key properties of N-(2,6-dimethylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2,6-dimethylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)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 N-(2,6-dimethylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 3224951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).