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

C19H20N2O3 — CID 110770570

IUPACN-(2,3-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccc3c(c2)NC(=O)C(C)O3)c1C
InChIInChI=1S/C19H20N2O3/c1-11-5-4-6-15(12(11)2)20-18(22)10-14-7-8-17-16(9-14)21-19(23)13(3)24-17/h4-9,13H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyAKEQFRAFVBTJIC-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.20
Rot. Bonds3

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

N-(2,3-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (PubChem CID 110770570) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
PubChem CID110770570
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(2,3-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccc3c(c2)NC(=O)C(C)O3)c1C
InChIInChI=1S/C19H20N2O3/c1-11-5-4-6-15(12(11)2)20-18(22)10-14-7-8-17-16(9-14)21-19(23)13(3)24-17/h4-9,13H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyAKEQFRAFVBTJIC-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770569
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770609
2-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetic acid
CID 96672277
N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881627
N-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 2599603
N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771530
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9145083
N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770527
2-(3-fluorophenyl)-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 110790075
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(2-methylphenyl)propanamide
CID 110778176
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
N-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770562

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (CID 110770570) is N-(2,3-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is Cc1cccc(NC(=O)Cc2ccc3c(c2)NC(=O)C(C)O3)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is AKEQFRAFVBTJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-11-5-4-6-15(12(11)2)20-18(22)10-14-7-8-17-16(9-14)21-19(23)13(3)24-17/h4-9,13H,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(2,3-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 110770570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).