3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione

C15H28N2O2 — CID 104830298

IUPAC3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione
SMILESCCC(C)C1NC(=O)CCN(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C15H28N2O2/c1-7-10(2)13-14(19)17(9-8-12(18)16-13)11(3)15(4,5)6/h10-11,13H,7-9H2,1-6H3,(H,16,18)
InChIKeyTZFLXPZGLKJMIS-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.18
Rot. Bonds3

About 3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione

3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione (PubChem CID 104830298) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione
PubChem CID104830298
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione
SMILESCCC(C)C1NC(=O)CCN(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C15H28N2O2/c1-7-10(2)13-14(19)17(9-8-12(18)16-13)11(3)15(4,5)6/h10-11,13H,7-9H2,1-6H3,(H,16,18)
InChIKeyTZFLXPZGLKJMIS-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-1-(1-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64963736
3-butan-2-yl-1-cycloheptyl-1,4-diazepane-2,5-dione
CID 64959828
3-butan-2-yl-1-prop-2-enyl-1,4-diazepane-2,5-dione
CID 64884724
3-butan-2-yl-1-(1-methylpiperidin-4-yl)-1,4-diazepane-2,5-dione
CID 64960078
3-butan-2-yl-1-(2-methylpentyl)-1,4-diazepane-2,5-dione
CID 64883530
3-butan-2-yl-1-[(4-chlorophenyl)methyl]-1,4-diazepane-2,5-dione
CID 64883147
3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-1,4-diazepane-2,5-dione
CID 114551444
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
3-butan-2-yl-1-(2-methylbutan-2-yl)piperazine-2,5-dione
CID 64958198
3-butan-2-yl-1-but-3-enyl-1,4-diazepane-2,5-dione
CID 113466179
3-butan-2-yl-1-(5-methylhexyl)-1,4-diazepane-2,5-dione
CID 115327141
3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione
CID 64972207

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione (CID 104830298) is 3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione is CCC(C)C1NC(=O)CCN(C(C)C(C)(C)C)C1=O.
What is the InChIKey of 3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione?
The InChIKey is TZFLXPZGLKJMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-7-10(2)13-14(19)17(9-8-12(18)16-13)11(3)15(4,5)6/h10-11,13H,7-9H2,1-6H3,(H,16,18).
What are the key properties of 3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione?
3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 104830298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).