(3S)-1,3,4-triethyl-1,4-diazepane-2,5-dione

C11H20N2O2 — CID 59872521

IUPAC(3S)-1,3,4-triethyl-1,4-diazepane-2,5-dione
SMILESCC[C@H]1C(=O)N(CC)CCC(=O)N1CC
InChIInChI=1S/C11H20N2O2/c1-4-9-11(15)12(5-2)8-7-10(14)13(9)6-3/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyGITVHICPCAUBMF-VIFPVBQESA-N
MW212.29 g/mol
LogP0.87
Rot. Bonds3

About (3S)-1,3,4-triethyl-1,4-diazepane-2,5-dione

(3S)-1,3,4-triethyl-1,4-diazepane-2,5-dione (PubChem CID 59872521) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3S)-1,3,4-triethyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name(3S)-1,3,4-triethyl-1,4-diazepane-2,5-dione
PubChem CID59872521
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(3S)-1,3,4-triethyl-1,4-diazepane-2,5-dione
SMILESCC[C@H]1C(=O)N(CC)CCC(=O)N1CC
InChIInChI=1S/C11H20N2O2/c1-4-9-11(15)12(5-2)8-7-10(14)13(9)6-3/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyGITVHICPCAUBMF-VIFPVBQESA-N
XLogP0.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-1,3,4-triethyl-1,4-diazepane-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

(5R)-1-ethyl-5-methylpyrrolidin-2-one
CID 122427829
CID 159290208
CID 159290208
(3R)-1,3-diethylpiperazin-2-one
CID 96645682
1,4-diethyl-3-methylazetidin-2-one
CID 123697315
(3R)-3-bromo-1-ethylpyrrolidin-2-one
CID 86332494
3-ethyl-1-methyl-1,3-diazinan-4-one
CID 22323499
(5S)-5-(aminomethyl)-1-ethylpyrrolidin-2-one
CID 15737590
3-(dimethylamino)-1-ethylpyrrolidin-2-one
CID 20680830
1-ethyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 59752136
5-(aminomethyl)-1-ethylpyrrolidin-2-one
CID 21312227
1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
1-ethyl-6-(2-hydroxypropan-2-yl)piperidin-2-one
CID 178099518

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3,4-triethyl-1,4-diazepane-2,5-dione?
The IUPAC name of (3S)-1,3,4-triethyl-1,4-diazepane-2,5-dione (CID 59872521) is (3S)-1,3,4-triethyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for (3S)-1,3,4-triethyl-1,4-diazepane-2,5-dione?
The canonical SMILES for (3S)-1,3,4-triethyl-1,4-diazepane-2,5-dione is CC[C@H]1C(=O)N(CC)CCC(=O)N1CC.
What is the InChIKey of (3S)-1,3,4-triethyl-1,4-diazepane-2,5-dione?
The InChIKey is GITVHICPCAUBMF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-9-11(15)12(5-2)8-7-10(14)13(9)6-3/h9H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (3S)-1,3,4-triethyl-1,4-diazepane-2,5-dione?
(3S)-1,3,4-triethyl-1,4-diazepane-2,5-dione has a molecular weight of 212.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3,4-triethyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 59872521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).