1-(3,4-dichlorophenyl)-3-ethyl-6-hydroxy-4,4,6-trimethyl-1,3-diazinan-2-one

C15H20Cl2N2O2 — CID 3695440

IUPAC1-(3,4-dichlorophenyl)-3-ethyl-6-hydroxy-4,4,6-trimethyl-1,3-diazinan-2-one
SMILESCCN1C(=O)N(c2ccc(Cl)c(Cl)c2)C(C)(O)CC1(C)C
InChIInChI=1S/C15H20Cl2N2O2/c1-5-18-13(20)19(15(4,21)9-14(18,2)3)10-6-7-11(16)12(17)8-10/h6-8,21H,5,9H2,1-4H3
InChIKeyOIFCIQXNZMBGTG-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.13
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-ethyl-6-hydroxy-4,4,6-trimethyl-1,3-diazinan-2-one

1-(3,4-dichlorophenyl)-3-ethyl-6-hydroxy-4,4,6-trimethyl-1,3-diazinan-2-one (PubChem CID 3695440) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-ethyl-6-hydroxy-4,4,6-trimethyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-ethyl-6-hydroxy-4,4,6-trimethyl-1,3-diazinan-2-one
PubChem CID3695440
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name1-(3,4-dichlorophenyl)-3-ethyl-6-hydroxy-4,4,6-trimethyl-1,3-diazinan-2-one
SMILESCCN1C(=O)N(c2ccc(Cl)c(Cl)c2)C(C)(O)CC1(C)C
InChIInChI=1S/C15H20Cl2N2O2/c1-5-18-13(20)19(15(4,21)9-14(18,2)3)10-6-7-11(16)12(17)8-10/h6-8,21H,5,9H2,1-4H3
InChIKeyOIFCIQXNZMBGTG-UHFFFAOYSA-N
XLogP4.13
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-ethyl-6-hydroxy-4,4,6-trimethyl-1,3-diazinan-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-ethyl-6-hydroxy-4,4,6-trimethyl-1,3-diazinan-2-one (CID 3695440) is 1-(3,4-dichlorophenyl)-3-ethyl-6-hydroxy-4,4,6-trimethyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-ethyl-6-hydroxy-4,4,6-trimethyl-1,3-diazinan-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-ethyl-6-hydroxy-4,4,6-trimethyl-1,3-diazinan-2-one is CCN1C(=O)N(c2ccc(Cl)c(Cl)c2)C(C)(O)CC1(C)C.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-ethyl-6-hydroxy-4,4,6-trimethyl-1,3-diazinan-2-one?
The InChIKey is OIFCIQXNZMBGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-5-18-13(20)19(15(4,21)9-14(18,2)3)10-6-7-11(16)12(17)8-10/h6-8,21H,5,9H2,1-4H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-ethyl-6-hydroxy-4,4,6-trimethyl-1,3-diazinan-2-one?
1-(3,4-dichlorophenyl)-3-ethyl-6-hydroxy-4,4,6-trimethyl-1,3-diazinan-2-one has a molecular weight of 331.24 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-ethyl-6-hydroxy-4,4,6-trimethyl-1,3-diazinan-2-one is sourced from PubChem (CID 3695440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).