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1-[4-[7-(4,4-dimethylcyclohexanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-ethylphenyl]-2-methylpropan-1-one

C28H36N2O3 — CID 166886708

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[4-[7-(4,4-dimethylcyclohexanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-ethylphenyl]-2-methylpropan-1-one
SMILESCCc1cc(N2CCOc3cc(C(=O)C4CCC(C)(C)CC4)cnc32)ccc1C(=O)C(C)C
InChIInChI=1S/C28H36N2O3/c1-6-19-15-22(7-8-23(19)25(31)18(2)3)30-13-14-33-24-16-21(17-29-27(24)30)26(32)20-9-11-28(4,5)12-10-20/h7-8,15-18,20H,6,9-14H2,1-5H3
InChIKeyYOSHWDJQSJDROK-UHFFFAOYSA-N
MW448.61 g/mol
LogP6.41
Rot. Bonds6

About 1-[4-[7-(4,4-dimethylcyclohexanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-ethylphenyl]-2-methylpropan-1-one

1-[4-[7-(4,4-dimethylcyclohexanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-ethylphenyl]-2-methylpropan-1-one (PubChem CID 166886708) has the molecular formula C28H36N2O3 and a molecular weight of 448.61 g/mol. Its IUPAC name is 1-[4-[7-(4,4-dimethylcyclohexanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-ethylphenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[7-(4,4-dimethylcyclohexanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-ethylphenyl]-2-methylpropan-1-one
PubChem CID166886708
Molecular FormulaC28H36N2O3
Molecular Weight448.61 g/mol
Exact Mass448.27
IUPAC Name1-[4-[7-(4,4-dimethylcyclohexanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-ethylphenyl]-2-methylpropan-1-one
SMILESCCc1cc(N2CCOc3cc(C(=O)C4CCC(C)(C)CC4)cnc32)ccc1C(=O)C(C)C
InChIInChI=1S/C28H36N2O3/c1-6-19-15-22(7-8-23(19)25(31)18(2)3)30-13-14-33-24-16-21(17-29-27(24)30)26(32)20-9-11-28(4,5)12-10-20/h7-8,15-18,20H,6,9-14H2,1-5H3
InChIKeyYOSHWDJQSJDROK-UHFFFAOYSA-N
XLogP6.41
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[7-(4,4-dimethylcyclohexanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-ethylphenyl]-2-methylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(4,4-dimethylcyclohexanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-ethylphenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[7-(4,4-dimethylcyclohexanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-ethylphenyl]-2-methylpropan-1-one (CID 166886708) is 1-[4-[7-(4,4-dimethylcyclohexanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-ethylphenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[7-(4,4-dimethylcyclohexanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-ethylphenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[7-(4,4-dimethylcyclohexanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-ethylphenyl]-2-methylpropan-1-one is CCc1cc(N2CCOc3cc(C(=O)C4CCC(C)(C)CC4)cnc32)ccc1C(=O)C(C)C.
What is the InChIKey of 1-[4-[7-(4,4-dimethylcyclohexanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-ethylphenyl]-2-methylpropan-1-one?
The InChIKey is YOSHWDJQSJDROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O3/c1-6-19-15-22(7-8-23(19)25(31)18(2)3)30-13-14-33-24-16-21(17-29-27(24)30)26(32)20-9-11-28(4,5)12-10-20/h7-8,15-18,20H,6,9-14H2,1-5H3.
What are the key properties of 1-[4-[7-(4,4-dimethylcyclohexanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-ethylphenyl]-2-methylpropan-1-one?
1-[4-[7-(4,4-dimethylcyclohexanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-ethylphenyl]-2-methylpropan-1-one has a molecular weight of 448.61 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(4,4-dimethylcyclohexanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-ethylphenyl]-2-methylpropan-1-one is sourced from PubChem (CID 166886708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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