3-ethyl-1-methyl-1,4-diazepane-2,5-dione

C8H14N2O2 — CID 64881885

IUPAC3-ethyl-1-methyl-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(C)C1=O
InChIInChI=1S/C8H14N2O2/c1-3-6-8(12)10(2)5-4-7(11)9-6/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeySJTNNFGTDIJGAC-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.26
Rot. Bonds1

About 3-ethyl-1-methyl-1,4-diazepane-2,5-dione

3-ethyl-1-methyl-1,4-diazepane-2,5-dione (PubChem CID 64881885) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-methyl-1,4-diazepane-2,5-dione
PubChem CID64881885
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-ethyl-1-methyl-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(C)C1=O
InChIInChI=1S/C8H14N2O2/c1-3-6-8(12)10(2)5-4-7(11)9-6/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeySJTNNFGTDIJGAC-UHFFFAOYSA-N
XLogP-0.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-methylpiperazine-2,5-dione
CID 64880969
1-tert-butyl-3-ethyl-1,4-diazepane-2,5-dione
CID 64956015
1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione
CID 64958811
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
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-(1-methoxypropan-2-yl)-1,4-diazepane-2,5-dione
CID 64956728
3-ethyl-1-(3-ethylcyclohexyl)-1,4-diazepane-2,5-dione
CID 64973427
3-tert-butyl-1-methyl-1,4-diazepane-2,5-dione
CID 64882259
3-ethyl-1-(4-methoxybutan-2-yl)-1,4-diazepane-2,5-dione
CID 64972967
1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 64956840

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1,4-diazepane-2,5-dione?
The IUPAC name of 3-ethyl-1-methyl-1,4-diazepane-2,5-dione (CID 64881885) is 3-ethyl-1-methyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-ethyl-1-methyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-ethyl-1-methyl-1,4-diazepane-2,5-dione is CCC1NC(=O)CCN(C)C1=O.
What is the InChIKey of 3-ethyl-1-methyl-1,4-diazepane-2,5-dione?
The InChIKey is SJTNNFGTDIJGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-6-8(12)10(2)5-4-7(11)9-6/h6H,3-5H2,1-2H3,(H,9,11).
What are the key properties of 3-ethyl-1-methyl-1,4-diazepane-2,5-dione?
3-ethyl-1-methyl-1,4-diazepane-2,5-dione has a molecular weight of 170.21 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64881885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).