1-tert-butyl-3-ethyl-1,4-diazepane-2,5-dione

C11H20N2O2 — CID 64956015

IUPAC1-tert-butyl-3-ethyl-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(C(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O2/c1-5-8-10(15)13(11(2,3)4)7-6-9(14)12-8/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyPGMGEERYVIYTET-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.91
Rot. Bonds1

About 1-tert-butyl-3-ethyl-1,4-diazepane-2,5-dione

1-tert-butyl-3-ethyl-1,4-diazepane-2,5-dione (PubChem CID 64956015) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-1,4-diazepane-2,5-dione
PubChem CID64956015
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-tert-butyl-3-ethyl-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(C(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O2/c1-5-8-10(15)13(11(2,3)4)7-6-9(14)12-8/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyPGMGEERYVIYTET-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-methyl-1,4-diazepane-2,5-dione
CID 64881885
1-(2-methylbutan-2-yl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64958124
1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione
CID 64958811
3-ethyl-1-(1-methoxypropan-2-yl)-1,4-diazepane-2,5-dione
CID 64956728
3-ethyl-1-(3-ethylsulfonylpropyl)-1,4-diazepane-2,5-dione
CID 65096322
3-ethyl-1-[(4-ethylcyclohexyl)methyl]-1,4-diazepane-2,5-dione
CID 64968269
3-ethyl-1-methylpiperazine-2,5-dione
CID 64880969
3-ethyl-1-(2,4,5-trichlorophenyl)-1,4-diazepane-2,5-dione
CID 64961977
1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 64959223
3-ethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazepane-2,5-dione
CID 106733796
3-ethyl-1-(3-ethylcyclohexyl)-1,4-diazepane-2,5-dione
CID 64973427
1-(3-chloro-5-fluorophenyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 107370895

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-tert-butyl-3-ethyl-1,4-diazepane-2,5-dione (CID 64956015) is 1-tert-butyl-3-ethyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-tert-butyl-3-ethyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-tert-butyl-3-ethyl-1,4-diazepane-2,5-dione is CCC1NC(=O)CCN(C(C)(C)C)C1=O.
What is the InChIKey of 1-tert-butyl-3-ethyl-1,4-diazepane-2,5-dione?
The InChIKey is PGMGEERYVIYTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-8-10(15)13(11(2,3)4)7-6-9(14)12-8/h8H,5-7H2,1-4H3,(H,12,14).
What are the key properties of 1-tert-butyl-3-ethyl-1,4-diazepane-2,5-dione?
1-tert-butyl-3-ethyl-1,4-diazepane-2,5-dione has a molecular weight of 212.29 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64956015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).