5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one

C17H24N2O2 — CID 73324831

IUPAC5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one
SMILESCCN1C(=O)NC(CCc2ccccc2)C(C(C)=O)C1C
InChIInChI=1S/C17H24N2O2/c1-4-19-12(2)16(13(3)20)15(18-17(19)21)11-10-14-8-6-5-7-9-14/h5-9,12,15-16H,4,10-11H2,1-3H3,(H,18,21)
InChIKeyZGEBMMSVPHZVMT-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.63
Rot. Bonds5

About 5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one

5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one (PubChem CID 73324831) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one
PubChem CID73324831
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one
SMILESCCN1C(=O)NC(CCc2ccccc2)C(C(C)=O)C1C
InChIInChI=1S/C17H24N2O2/c1-4-19-12(2)16(13(3)20)15(18-17(19)21)11-10-14-8-6-5-7-9-14/h5-9,12,15-16H,4,10-11H2,1-3H3,(H,18,21)
InChIKeyZGEBMMSVPHZVMT-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one?
The IUPAC name of 5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one (CID 73324831) is 5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one?
The canonical SMILES for 5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one is CCN1C(=O)NC(CCc2ccccc2)C(C(C)=O)C1C.
What is the InChIKey of 5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one?
The InChIKey is ZGEBMMSVPHZVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-19-12(2)16(13(3)20)15(18-17(19)21)11-10-14-8-6-5-7-9-14/h5-9,12,15-16H,4,10-11H2,1-3H3,(H,18,21).
What are the key properties of 5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one?
5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 73324831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).