1-(4-chlorophenyl)-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinan-2-one

C14H19ClN2O2 — CID 2817316

IUPAC1-(4-chlorophenyl)-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinan-2-one
SMILESCN1C(=O)N(c2ccc(Cl)cc2)C(C)(O)CC1(C)C
InChIInChI=1S/C14H19ClN2O2/c1-13(2)9-14(3,19)17(12(18)16(13)4)11-7-5-10(15)6-8-11/h5-8,19H,9H2,1-4H3
InChIKeySSHPBKHRMZJGAB-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.09
Rot. Bonds1

About 1-(4-chlorophenyl)-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinan-2-one

1-(4-chlorophenyl)-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinan-2-one (PubChem CID 2817316) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinan-2-one
PubChem CID2817316
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-(4-chlorophenyl)-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinan-2-one
SMILESCN1C(=O)N(c2ccc(Cl)cc2)C(C)(O)CC1(C)C
InChIInChI=1S/C14H19ClN2O2/c1-13(2)9-14(3,19)17(12(18)16(13)4)11-7-5-10(15)6-8-11/h5-8,19H,9H2,1-4H3
InChIKeySSHPBKHRMZJGAB-UHFFFAOYSA-N
XLogP3.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinan-2-one (CID 2817316) is 1-(4-chlorophenyl)-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinan-2-one is CN1C(=O)N(c2ccc(Cl)cc2)C(C)(O)CC1(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinan-2-one?
The InChIKey is SSHPBKHRMZJGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-13(2)9-14(3,19)17(12(18)16(13)4)11-7-5-10(15)6-8-11/h5-8,19H,9H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinan-2-one?
1-(4-chlorophenyl)-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinan-2-one has a molecular weight of 282.77 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinan-2-one is sourced from PubChem (CID 2817316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).