3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone

C18H19NO2 — CID 116610704

IUPAC3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2cccc3c2OCCN3)cc1
InChIInChI=1S/C18H19NO2/c1-12(2)13-6-8-14(9-7-13)17(20)15-4-3-5-16-18(15)21-11-10-19-16/h3-9,12,19H,10-11H2,1-2H3
InChIKeyFLSKTQVRKKWFGC-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.85
Rot. Bonds3

About 3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone

3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone (PubChem CID 116610704) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone
PubChem CID116610704
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2cccc3c2OCCN3)cc1
InChIInChI=1S/C18H19NO2/c1-12(2)13-6-8-14(9-7-13)17(20)15-4-3-5-16-18(15)21-11-10-19-16/h3-9,12,19H,10-11H2,1-2H3
InChIKeyFLSKTQVRKKWFGC-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone
CID 116610705
N-but-3-yn-2-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 114417159
3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone
CID 102652618
2-(5-chloro-2-fluorophenyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone
CID 103052467
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 106276424
(4-propan-2-ylphenyl)-quinoxalin-5-ylmethanone
CID 105097599
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
N-(2-amino-2-oxoethyl)-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 103101996
2-(2,5-difluorophenyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone
CID 116610587
8-methyl-3,4-dihydro-2H-1,4-benzoxazine;propanoate
CID 86664801
1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2-(4-iodophenyl)ethanone
CID 116610685
4-(3,4-dihydro-2H-1,4-benzoxazine-8-carbonylamino)-2-hydroxybutanoic acid
CID 107836065

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone (CID 116610704) is 3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)c2cccc3c2OCCN3)cc1.
What is the InChIKey of 3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone?
The InChIKey is FLSKTQVRKKWFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12(2)13-6-8-14(9-7-13)17(20)15-4-3-5-16-18(15)21-11-10-19-16/h3-9,12,19H,10-11H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone?
3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone has a molecular weight of 281.36 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 116610704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).