1-(3-chlorophenyl)-6-hydroxy-4,4,6-trimethyl-3-propan-2-yl-1,3-diazinan-2-one

C16H23ClN2O2 — CID 5131737

IUPAC1-(3-chlorophenyl)-6-hydroxy-4,4,6-trimethyl-3-propan-2-yl-1,3-diazinan-2-one
SMILESCC(C)N1C(=O)N(c2cccc(Cl)c2)C(C)(O)CC1(C)C
InChIInChI=1S/C16H23ClN2O2/c1-11(2)18-14(20)19(13-8-6-7-12(17)9-13)16(5,21)10-15(18,3)4/h6-9,11,21H,10H2,1-5H3
InChIKeyZOUWSRNDQYYJLB-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.87
Rot. Bonds2

About 1-(3-chlorophenyl)-6-hydroxy-4,4,6-trimethyl-3-propan-2-yl-1,3-diazinan-2-one

1-(3-chlorophenyl)-6-hydroxy-4,4,6-trimethyl-3-propan-2-yl-1,3-diazinan-2-one (PubChem CID 5131737) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-6-hydroxy-4,4,6-trimethyl-3-propan-2-yl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-6-hydroxy-4,4,6-trimethyl-3-propan-2-yl-1,3-diazinan-2-one
PubChem CID5131737
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name1-(3-chlorophenyl)-6-hydroxy-4,4,6-trimethyl-3-propan-2-yl-1,3-diazinan-2-one
SMILESCC(C)N1C(=O)N(c2cccc(Cl)c2)C(C)(O)CC1(C)C
InChIInChI=1S/C16H23ClN2O2/c1-11(2)18-14(20)19(13-8-6-7-12(17)9-13)16(5,21)10-15(18,3)4/h6-9,11,21H,10H2,1-5H3
InChIKeyZOUWSRNDQYYJLB-UHFFFAOYSA-N
XLogP3.87
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-6-hydroxy-4,4,6-trimethyl-3-propan-2-yl-1,3-diazinan-2-one?
The IUPAC name of 1-(3-chlorophenyl)-6-hydroxy-4,4,6-trimethyl-3-propan-2-yl-1,3-diazinan-2-one (CID 5131737) is 1-(3-chlorophenyl)-6-hydroxy-4,4,6-trimethyl-3-propan-2-yl-1,3-diazinan-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-6-hydroxy-4,4,6-trimethyl-3-propan-2-yl-1,3-diazinan-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-6-hydroxy-4,4,6-trimethyl-3-propan-2-yl-1,3-diazinan-2-one is CC(C)N1C(=O)N(c2cccc(Cl)c2)C(C)(O)CC1(C)C.
What is the InChIKey of 1-(3-chlorophenyl)-6-hydroxy-4,4,6-trimethyl-3-propan-2-yl-1,3-diazinan-2-one?
The InChIKey is ZOUWSRNDQYYJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11(2)18-14(20)19(13-8-6-7-12(17)9-13)16(5,21)10-15(18,3)4/h6-9,11,21H,10H2,1-5H3.
What are the key properties of 1-(3-chlorophenyl)-6-hydroxy-4,4,6-trimethyl-3-propan-2-yl-1,3-diazinan-2-one?
1-(3-chlorophenyl)-6-hydroxy-4,4,6-trimethyl-3-propan-2-yl-1,3-diazinan-2-one has a molecular weight of 310.83 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-6-hydroxy-4,4,6-trimethyl-3-propan-2-yl-1,3-diazinan-2-one is sourced from PubChem (CID 5131737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).