6-hydroxy-4,4,6-trimethyl-1-phenyl-3-propan-2-yl-1,3-diazinan-2-one

C16H24N2O2 — CID 3822502

IUPAC6-hydroxy-4,4,6-trimethyl-1-phenyl-3-propan-2-yl-1,3-diazinan-2-one
SMILESCC(C)N1C(=O)N(c2ccccc2)C(C)(O)CC1(C)C
InChIInChI=1S/C16H24N2O2/c1-12(2)17-14(19)18(13-9-7-6-8-10-13)16(5,20)11-15(17,3)4/h6-10,12,20H,11H2,1-5H3
InChIKeyGKHNXNRAWLIBMO-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.21
Rot. Bonds2

About 6-hydroxy-4,4,6-trimethyl-1-phenyl-3-propan-2-yl-1,3-diazinan-2-one

6-hydroxy-4,4,6-trimethyl-1-phenyl-3-propan-2-yl-1,3-diazinan-2-one (PubChem CID 3822502) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-hydroxy-4,4,6-trimethyl-1-phenyl-3-propan-2-yl-1,3-diazinan-2-one.

Molecular Properties

Compound Name6-hydroxy-4,4,6-trimethyl-1-phenyl-3-propan-2-yl-1,3-diazinan-2-one
PubChem CID3822502
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name6-hydroxy-4,4,6-trimethyl-1-phenyl-3-propan-2-yl-1,3-diazinan-2-one
SMILESCC(C)N1C(=O)N(c2ccccc2)C(C)(O)CC1(C)C
InChIInChI=1S/C16H24N2O2/c1-12(2)17-14(19)18(13-9-7-6-8-10-13)16(5,20)11-15(17,3)4/h6-10,12,20H,11H2,1-5H3
InChIKeyGKHNXNRAWLIBMO-UHFFFAOYSA-N
XLogP3.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4,4,6-trimethyl-1-phenyl-3-propan-2-yl-1,3-diazinan-2-one?
The IUPAC name of 6-hydroxy-4,4,6-trimethyl-1-phenyl-3-propan-2-yl-1,3-diazinan-2-one (CID 3822502) is 6-hydroxy-4,4,6-trimethyl-1-phenyl-3-propan-2-yl-1,3-diazinan-2-one.
What is the SMILES notation for 6-hydroxy-4,4,6-trimethyl-1-phenyl-3-propan-2-yl-1,3-diazinan-2-one?
The canonical SMILES for 6-hydroxy-4,4,6-trimethyl-1-phenyl-3-propan-2-yl-1,3-diazinan-2-one is CC(C)N1C(=O)N(c2ccccc2)C(C)(O)CC1(C)C.
What is the InChIKey of 6-hydroxy-4,4,6-trimethyl-1-phenyl-3-propan-2-yl-1,3-diazinan-2-one?
The InChIKey is GKHNXNRAWLIBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)17-14(19)18(13-9-7-6-8-10-13)16(5,20)11-15(17,3)4/h6-10,12,20H,11H2,1-5H3.
What are the key properties of 6-hydroxy-4,4,6-trimethyl-1-phenyl-3-propan-2-yl-1,3-diazinan-2-one?
6-hydroxy-4,4,6-trimethyl-1-phenyl-3-propan-2-yl-1,3-diazinan-2-one has a molecular weight of 276.38 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4,4,6-trimethyl-1-phenyl-3-propan-2-yl-1,3-diazinan-2-one is sourced from PubChem (CID 3822502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).