3,3-diethyl-1-(1-methoxypentan-2-yl)-1,4-diazepane-2,5-dione

C15H28N2O3 — CID 64972860

IUPAC3,3-diethyl-1-(1-methoxypentan-2-yl)-1,4-diazepane-2,5-dione
SMILESCCCC(COC)N1CCC(=O)NC(CC)(CC)C1=O
InChIInChI=1S/C15H28N2O3/c1-5-8-12(11-20-4)17-10-9-13(18)16-15(6-2,7-3)14(17)19/h12H,5-11H2,1-4H3,(H,16,18)
InChIKeyACTBTVOTUQXJEQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.71
Rot. Bonds7

About 3,3-diethyl-1-(1-methoxypentan-2-yl)-1,4-diazepane-2,5-dione

3,3-diethyl-1-(1-methoxypentan-2-yl)-1,4-diazepane-2,5-dione (PubChem CID 64972860) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3,3-diethyl-1-(1-methoxypentan-2-yl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(1-methoxypentan-2-yl)-1,4-diazepane-2,5-dione
PubChem CID64972860
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3,3-diethyl-1-(1-methoxypentan-2-yl)-1,4-diazepane-2,5-dione
SMILESCCCC(COC)N1CCC(=O)NC(CC)(CC)C1=O
InChIInChI=1S/C15H28N2O3/c1-5-8-12(11-20-4)17-10-9-13(18)16-15(6-2,7-3)14(17)19/h12H,5-11H2,1-4H3,(H,16,18)
InChIKeyACTBTVOTUQXJEQ-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64972797
1-(1-methoxypropan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64956609
1-hexan-3-yl-1,4-diazepane-2,5-dione
CID 64968950
3,3-dimethyl-1-(1-thiophen-2-ylbutyl)-1,4-diazepane-2,5-dione
CID 64966335
3,3-diethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane-2,5-dione
CID 64882509
3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione
CID 64958170
3,3-diethyl-1-(5-methylhexyl)-1,4-diazepane-2,5-dione
CID 115327206
1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione
CID 64958518
3,3-diethyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
CID 64959698
3,3-diethyl-1-(2-methylsulfanylpropyl)-1,4-diazepane-2,5-dione
CID 113466958
3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione
CID 64971507
1-(1-ethoxypropan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64967930

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(1-methoxypentan-2-yl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(1-methoxypentan-2-yl)-1,4-diazepane-2,5-dione (CID 64972860) is 3,3-diethyl-1-(1-methoxypentan-2-yl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(1-methoxypentan-2-yl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(1-methoxypentan-2-yl)-1,4-diazepane-2,5-dione is CCCC(COC)N1CCC(=O)NC(CC)(CC)C1=O.
What is the InChIKey of 3,3-diethyl-1-(1-methoxypentan-2-yl)-1,4-diazepane-2,5-dione?
The InChIKey is ACTBTVOTUQXJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-8-12(11-20-4)17-10-9-13(18)16-15(6-2,7-3)14(17)19/h12H,5-11H2,1-4H3,(H,16,18).
What are the key properties of 3,3-diethyl-1-(1-methoxypentan-2-yl)-1,4-diazepane-2,5-dione?
3,3-diethyl-1-(1-methoxypentan-2-yl)-1,4-diazepane-2,5-dione has a molecular weight of 284.40 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(1-methoxypentan-2-yl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64972860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).