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

C17H25ClN2O2 — CID 3760306

IUPAC1-butyl-3-(2-chlorophenyl)-4-hydroxy-4,6,6-trimethyl-1,3-diazinan-2-one
SMILESCCCCN1C(=O)N(c2ccccc2Cl)C(C)(O)CC1(C)C
InChIInChI=1S/C17H25ClN2O2/c1-5-6-11-19-15(21)20(14-10-8-7-9-13(14)18)17(4,22)12-16(19,2)3/h7-10,22H,5-6,11-12H2,1-4H3
InChIKeyMFMFJCMBQSSMDO-UHFFFAOYSA-N
MW324.85 g/mol
LogP4.26
Rot. Bonds4

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

1-butyl-3-(2-chlorophenyl)-4-hydroxy-4,6,6-trimethyl-1,3-diazinan-2-one (PubChem CID 3760306) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 1-butyl-3-(2-chlorophenyl)-4-hydroxy-4,6,6-trimethyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-butyl-3-(2-chlorophenyl)-4-hydroxy-4,6,6-trimethyl-1,3-diazinan-2-one
PubChem CID3760306
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name1-butyl-3-(2-chlorophenyl)-4-hydroxy-4,6,6-trimethyl-1,3-diazinan-2-one
SMILESCCCCN1C(=O)N(c2ccccc2Cl)C(C)(O)CC1(C)C
InChIInChI=1S/C17H25ClN2O2/c1-5-6-11-19-15(21)20(14-10-8-7-9-13(14)18)17(4,22)12-16(19,2)3/h7-10,22H,5-6,11-12H2,1-4H3
InChIKeyMFMFJCMBQSSMDO-UHFFFAOYSA-N
XLogP4.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-chlorophenyl)-4-hydroxy-4,6,6-trimethyl-1,3-diazinan-2-one?
The IUPAC name of 1-butyl-3-(2-chlorophenyl)-4-hydroxy-4,6,6-trimethyl-1,3-diazinan-2-one (CID 3760306) is 1-butyl-3-(2-chlorophenyl)-4-hydroxy-4,6,6-trimethyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-butyl-3-(2-chlorophenyl)-4-hydroxy-4,6,6-trimethyl-1,3-diazinan-2-one?
The canonical SMILES for 1-butyl-3-(2-chlorophenyl)-4-hydroxy-4,6,6-trimethyl-1,3-diazinan-2-one is CCCCN1C(=O)N(c2ccccc2Cl)C(C)(O)CC1(C)C.
What is the InChIKey of 1-butyl-3-(2-chlorophenyl)-4-hydroxy-4,6,6-trimethyl-1,3-diazinan-2-one?
The InChIKey is MFMFJCMBQSSMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-5-6-11-19-15(21)20(14-10-8-7-9-13(14)18)17(4,22)12-16(19,2)3/h7-10,22H,5-6,11-12H2,1-4H3.
What are the key properties of 1-butyl-3-(2-chlorophenyl)-4-hydroxy-4,6,6-trimethyl-1,3-diazinan-2-one?
1-butyl-3-(2-chlorophenyl)-4-hydroxy-4,6,6-trimethyl-1,3-diazinan-2-one has a molecular weight of 324.85 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-chlorophenyl)-4-hydroxy-4,6,6-trimethyl-1,3-diazinan-2-one is sourced from PubChem (CID 3760306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).