2-(2,3-dimethylphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone

C19H21NO3 — CID 51065346

IUPAC2-(2,3-dimethylphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
SMILESCc1cccc(OCC(=O)N2CC(C)Oc3ccccc32)c1C
InChIInChI=1S/C19H21NO3/c1-13-7-6-10-17(15(13)3)22-12-19(21)20-11-14(2)23-18-9-5-4-8-16(18)20/h4-10,14H,11-12H2,1-3H3
InChIKeyQGCUMIJVAZZTQU-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.50
Rot. Bonds3

About 2-(2,3-dimethylphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone

2-(2,3-dimethylphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone (PubChem CID 51065346) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
PubChem CID51065346
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-(2,3-dimethylphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
SMILESCc1cccc(OCC(=O)N2CC(C)Oc3ccccc32)c1C
InChIInChI=1S/C19H21NO3/c1-13-7-6-10-17(15(13)3)22-12-19(21)20-11-14(2)23-18-9-5-4-8-16(18)20/h4-10,14H,11-12H2,1-3H3
InChIKeyQGCUMIJVAZZTQU-UHFFFAOYSA-N
XLogP3.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 14880552
3,3,3-trifluoro-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 166201745
(2S)-4-[2-(2,6-dimethylphenoxy)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8946128
(2S)-N-methyl-4-(2-naphthalen-1-yloxyacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 26711422
4-[2-(2-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 46616532
2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55132312
(2R)-4-[2-(2,5-dimethylphenoxy)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 37009346
(2R)-4-[2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 36578142
(2S)-4-[2-(2,4-dimethylphenoxy)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 37009551
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethylphenoxy)acetamide
CID 127113071
2-(2,3-dimethylphenoxy)-1-[4-[2-(2,3-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108546513
methyl 4-[2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 133239012

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The IUPAC name of 2-(2,3-dimethylphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone (CID 51065346) is 2-(2,3-dimethylphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone is Cc1cccc(OCC(=O)N2CC(C)Oc3ccccc32)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The InChIKey is QGCUMIJVAZZTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13-7-6-10-17(15(13)3)22-12-19(21)20-11-14(2)23-18-9-5-4-8-16(18)20/h4-10,14H,11-12H2,1-3H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
2-(2,3-dimethylphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone has a molecular weight of 311.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone is sourced from PubChem (CID 51065346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).