6-hydroxy-4,4,6-trimethyl-1-(3-methylphenyl)-3-propyl-1,3-diazinan-2-one

C17H26N2O2 — CID 3455288

IUPAC6-hydroxy-4,4,6-trimethyl-1-(3-methylphenyl)-3-propyl-1,3-diazinan-2-one
SMILESCCCN1C(=O)N(c2cccc(C)c2)C(C)(O)CC1(C)C
InChIInChI=1S/C17H26N2O2/c1-6-10-18-15(20)19(14-9-7-8-13(2)11-14)17(5,21)12-16(18,3)4/h7-9,11,21H,6,10,12H2,1-5H3
InChIKeyFOTASIVLDPUVDI-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.52
Rot. Bonds3

About 6-hydroxy-4,4,6-trimethyl-1-(3-methylphenyl)-3-propyl-1,3-diazinan-2-one

6-hydroxy-4,4,6-trimethyl-1-(3-methylphenyl)-3-propyl-1,3-diazinan-2-one (PubChem CID 3455288) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-hydroxy-4,4,6-trimethyl-1-(3-methylphenyl)-3-propyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name6-hydroxy-4,4,6-trimethyl-1-(3-methylphenyl)-3-propyl-1,3-diazinan-2-one
PubChem CID3455288
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name6-hydroxy-4,4,6-trimethyl-1-(3-methylphenyl)-3-propyl-1,3-diazinan-2-one
SMILESCCCN1C(=O)N(c2cccc(C)c2)C(C)(O)CC1(C)C
InChIInChI=1S/C17H26N2O2/c1-6-10-18-15(20)19(14-9-7-8-13(2)11-14)17(5,21)12-16(18,3)4/h7-9,11,21H,6,10,12H2,1-5H3
InChIKeyFOTASIVLDPUVDI-UHFFFAOYSA-N
XLogP3.52
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.52
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-(3-methylphenyl)-3-propyl-1,3-diazinan-2-one?
The IUPAC name of 6-hydroxy-4,4,6-trimethyl-1-(3-methylphenyl)-3-propyl-1,3-diazinan-2-one (CID 3455288) is 6-hydroxy-4,4,6-trimethyl-1-(3-methylphenyl)-3-propyl-1,3-diazinan-2-one.
What is the SMILES notation for 6-hydroxy-4,4,6-trimethyl-1-(3-methylphenyl)-3-propyl-1,3-diazinan-2-one?
The canonical SMILES for 6-hydroxy-4,4,6-trimethyl-1-(3-methylphenyl)-3-propyl-1,3-diazinan-2-one is CCCN1C(=O)N(c2cccc(C)c2)C(C)(O)CC1(C)C.
What is the InChIKey of 6-hydroxy-4,4,6-trimethyl-1-(3-methylphenyl)-3-propyl-1,3-diazinan-2-one?
The InChIKey is FOTASIVLDPUVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-10-18-15(20)19(14-9-7-8-13(2)11-14)17(5,21)12-16(18,3)4/h7-9,11,21H,6,10,12H2,1-5H3.
What are the key properties of 6-hydroxy-4,4,6-trimethyl-1-(3-methylphenyl)-3-propyl-1,3-diazinan-2-one?
6-hydroxy-4,4,6-trimethyl-1-(3-methylphenyl)-3-propyl-1,3-diazinan-2-one has a molecular weight of 290.41 g/mol, XLogP of 3.52, 3 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-(3-methylphenyl)-3-propyl-1,3-diazinan-2-one is sourced from PubChem (CID 3455288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).