(4R)-1-[(2R)-butan-2-yl]-4-hydroxy-4,6,6-trimethyl-3-phenyl-1,3-diazinan-2-one

C17H26N2O2 — CID 909123

IUPAC(4R)-1-[(2R)-butan-2-yl]-4-hydroxy-4,6,6-trimethyl-3-phenyl-1,3-diazinan-2-one
SMILESCC[C@@H](C)N1C(=O)N(c2ccccc2)[C@](C)(O)CC1(C)C
InChIInChI=1S/C17H26N2O2/c1-6-13(2)18-15(20)19(14-10-8-7-9-11-14)17(5,21)12-16(18,3)4/h7-11,13,21H,6,12H2,1-5H3/t13-,17-/m1/s1
InChIKeySVKHWMUHEZPJOS-CXAGYDPISA-N
MW290.41 g/mol
LogP3.60
Rot. Bonds3

About (4R)-1-[(2R)-butan-2-yl]-4-hydroxy-4,6,6-trimethyl-3-phenyl-1,3-diazinan-2-one

(4R)-1-[(2R)-butan-2-yl]-4-hydroxy-4,6,6-trimethyl-3-phenyl-1,3-diazinan-2-one (PubChem CID 909123) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (4R)-1-[(2R)-butan-2-yl]-4-hydroxy-4,6,6-trimethyl-3-phenyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name(4R)-1-[(2R)-butan-2-yl]-4-hydroxy-4,6,6-trimethyl-3-phenyl-1,3-diazinan-2-one
PubChem CID909123
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(4R)-1-[(2R)-butan-2-yl]-4-hydroxy-4,6,6-trimethyl-3-phenyl-1,3-diazinan-2-one
SMILESCC[C@@H](C)N1C(=O)N(c2ccccc2)[C@](C)(O)CC1(C)C
InChIInChI=1S/C17H26N2O2/c1-6-13(2)18-15(20)19(14-10-8-7-9-11-14)17(5,21)12-16(18,3)4/h7-11,13,21H,6,12H2,1-5H3/t13-,17-/m1/s1
InChIKeySVKHWMUHEZPJOS-CXAGYDPISA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-1-[(2R)-butan-2-yl]-4-hydroxy-4,6,6-trimethyl-3-phenyl-1,3-diazinan-2-one with MolForge

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Related Compounds

(6S)-1-(3-chlorophenyl)-6-hydroxy-4,4,6-trimethyl-3-propan-2-yl-1,3-diazinan-2-one
CID 911192
(6R)-1-(2-chlorophenyl)-6-hydroxy-4,4,6-trimethyl-3-propan-2-yl-1,3-diazinan-2-one
CID 911444
4-butan-2-yl-3,3,6,6-tetramethyl-1,4-diazepan-5-one
CID 117023527
ethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione
CID 90723547
4-(hydroxyamino)-1,4,5,5-tetramethyl-3-phenylimidazolidin-2-one
CID 5084184
8-ethyl-1,3-diphenyl-8a-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-2,4-dione
CID 132990718
3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one
CID 54779141
(4R,5S)-1-[(2S)-butan-2-yl]-4-methyl-2,6-dioxo-N,3-diphenyl-1,3-diazinane-5-carboxamide
CID 101146560
1-butan-2-yl-8a-hydroxy-7,8-dihydrobenzo[cd]indole-2,6-dione
CID 155006055
5-ethyl-5-methyl-4-phenyl-1,2,4-triazol-3-one
CID 4296720
3-ethyl-4-hydroxy-3,5,5-trimethyl-1-phenylpiperazin-2-one
CID 70644597
3-ethyl-4-methyl-1,4-diphenylazetidin-2-one
CID 135025693

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(2R)-butan-2-yl]-4-hydroxy-4,6,6-trimethyl-3-phenyl-1,3-diazinan-2-one?
The IUPAC name of (4R)-1-[(2R)-butan-2-yl]-4-hydroxy-4,6,6-trimethyl-3-phenyl-1,3-diazinan-2-one (CID 909123) is (4R)-1-[(2R)-butan-2-yl]-4-hydroxy-4,6,6-trimethyl-3-phenyl-1,3-diazinan-2-one.
What is the SMILES notation for (4R)-1-[(2R)-butan-2-yl]-4-hydroxy-4,6,6-trimethyl-3-phenyl-1,3-diazinan-2-one?
The canonical SMILES for (4R)-1-[(2R)-butan-2-yl]-4-hydroxy-4,6,6-trimethyl-3-phenyl-1,3-diazinan-2-one is CC[C@@H](C)N1C(=O)N(c2ccccc2)[C@](C)(O)CC1(C)C.
What is the InChIKey of (4R)-1-[(2R)-butan-2-yl]-4-hydroxy-4,6,6-trimethyl-3-phenyl-1,3-diazinan-2-one?
The InChIKey is SVKHWMUHEZPJOS-CXAGYDPISA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-13(2)18-15(20)19(14-10-8-7-9-11-14)17(5,21)12-16(18,3)4/h7-11,13,21H,6,12H2,1-5H3/t13-,17-/m1/s1.
What are the key properties of (4R)-1-[(2R)-butan-2-yl]-4-hydroxy-4,6,6-trimethyl-3-phenyl-1,3-diazinan-2-one?
(4R)-1-[(2R)-butan-2-yl]-4-hydroxy-4,6,6-trimethyl-3-phenyl-1,3-diazinan-2-one has a molecular weight of 290.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(2R)-butan-2-yl]-4-hydroxy-4,6,6-trimethyl-3-phenyl-1,3-diazinan-2-one is sourced from PubChem (CID 909123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).