3-ethyl-1-(1-methoxypropan-2-yl)-1,4-diazepane-2,5-dione

C11H20N2O3 — CID 64956728

IUPAC3-ethyl-1-(1-methoxypropan-2-yl)-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(C(C)COC)C1=O
InChIInChI=1S/C11H20N2O3/c1-4-9-11(15)13(8(2)7-16-3)6-5-10(14)12-9/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyQIDWHUQTOFHMOL-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.15
Rot. Bonds4

About 3-ethyl-1-(1-methoxypropan-2-yl)-1,4-diazepane-2,5-dione

3-ethyl-1-(1-methoxypropan-2-yl)-1,4-diazepane-2,5-dione (PubChem CID 64956728) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-ethyl-1-(1-methoxypropan-2-yl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(1-methoxypropan-2-yl)-1,4-diazepane-2,5-dione
PubChem CID64956728
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-ethyl-1-(1-methoxypropan-2-yl)-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(C(C)COC)C1=O
InChIInChI=1S/C11H20N2O3/c1-4-9-11(15)13(8(2)7-16-3)6-5-10(14)12-9/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyQIDWHUQTOFHMOL-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxypropan-2-yl)-3-propyl-1,4-diazepane-2,5-dione
CID 64956632
3-ethyl-1-(4-methoxybutan-2-yl)-1,4-diazepane-2,5-dione
CID 64972967
3-ethyl-1-methyl-1,4-diazepane-2,5-dione
CID 64881885
1-tert-butyl-3-ethyl-1,4-diazepane-2,5-dione
CID 64956015
1-(1-methoxypropan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64956609
3-(2-methylpropyl)-1-(1-methylsulfanylpropan-2-yl)-1,4-diazepane-2,5-dione
CID 113473111
3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 64973273
3-(2-methylpropyl)-1-(1-methylsulfonylpropan-2-yl)-1,4-diazepane-2,5-dione
CID 64972970
1-(3-methoxy-2-methylpropyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64968632
1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione
CID 64958811
1-(4-methoxybutan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione
CID 64973109
3-ethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazepane-2,5-dione
CID 106733796

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-methoxypropan-2-yl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-ethyl-1-(1-methoxypropan-2-yl)-1,4-diazepane-2,5-dione (CID 64956728) is 3-ethyl-1-(1-methoxypropan-2-yl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(1-methoxypropan-2-yl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-ethyl-1-(1-methoxypropan-2-yl)-1,4-diazepane-2,5-dione is CCC1NC(=O)CCN(C(C)COC)C1=O.
What is the InChIKey of 3-ethyl-1-(1-methoxypropan-2-yl)-1,4-diazepane-2,5-dione?
The InChIKey is QIDWHUQTOFHMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-9-11(15)13(8(2)7-16-3)6-5-10(14)12-9/h8-9H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 3-ethyl-1-(1-methoxypropan-2-yl)-1,4-diazepane-2,5-dione?
3-ethyl-1-(1-methoxypropan-2-yl)-1,4-diazepane-2,5-dione has a molecular weight of 228.29 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-methoxypropan-2-yl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64956728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).