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

C17H24N2O2 — CID 16759664

IUPAC(4S,5S,6R)-5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one
SMILESCCN1C(=O)N[C@@H](CCc2ccccc2)[C@H](C(C)=O)[C@H]1C
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)/t12-,15+,16+/m1/s1
InChIKeyZGEBMMSVPHZVMT-KCXAZCMYSA-N
MW288.39 g/mol
LogP2.63
Rot. Bonds5

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

(4S,5S,6R)-5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one (PubChem CID 16759664) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (4S,5S,6R)-5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name(4S,5S,6R)-5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one
PubChem CID16759664
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(4S,5S,6R)-5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one
SMILESCCN1C(=O)N[C@@H](CCc2ccccc2)[C@H](C(C)=O)[C@H]1C
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)/t12-,15+,16+/m1/s1
InChIKeyZGEBMMSVPHZVMT-KCXAZCMYSA-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

Analyze (4S,5S,6R)-5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5S,6R)-5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one?
The IUPAC name of (4S,5S,6R)-5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one (CID 16759664) is (4S,5S,6R)-5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one.
What is the SMILES notation for (4S,5S,6R)-5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one?
The canonical SMILES for (4S,5S,6R)-5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one is CCN1C(=O)N[C@@H](CCc2ccccc2)[C@H](C(C)=O)[C@H]1C.
What is the InChIKey of (4S,5S,6R)-5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one?
The InChIKey is ZGEBMMSVPHZVMT-KCXAZCMYSA-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)/t12-,15+,16+/m1/s1.
What are the key properties of (4S,5S,6R)-5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one?
(4S,5S,6R)-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 (4S,5S,6R)-5-acetyl-1-ethyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 16759664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).