3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione

C14H24N2O3 — CID 64882943

IUPAC3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione
SMILESCCC(C)C1NC(=O)CC(C)N(C2CCOC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-4-9(2)13-14(18)16(11-5-6-19-8-11)10(3)7-12(17)15-13/h9-11,13H,4-8H2,1-3H3,(H,15,17)
InChIKeyQDWLNOXWBITDAW-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds3

About 3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione

3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione (PubChem CID 64882943) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione
PubChem CID64882943
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione
SMILESCCC(C)C1NC(=O)CC(C)N(C2CCOC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-4-9(2)13-14(18)16(11-5-6-19-8-11)10(3)7-12(17)15-13/h9-11,13H,4-8H2,1-3H3,(H,15,17)
InChIKeyQDWLNOXWBITDAW-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione with MolForge

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Related Compounds

3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64902522
3-butan-2-yl-6-tert-butyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64903462
5-butan-2-yl-2-methyl-3-(oxan-3-yl)imidazolidin-4-one
CID 83264762
3-butan-2-yl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64881975
6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873851
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
3-butan-2-yl-7-methyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane-2,5-dione
CID 64883336
3-butan-2-yl-7-methyl-1-(2-propoxyethyl)-1,4-diazepane-2,5-dione
CID 106459146
3-butan-2-yl-7-methyl-1-(3-methylsulfonylpropyl)-1,4-diazepane-2,5-dione
CID 64883334
6-cyclopropyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873601
3-butan-2-yl-7-methyl-1-(1,3-thiazol-5-ylmethyl)-1,4-diazepane-2,5-dione
CID 115979744
8-butan-2-yl-9-(oxolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887421

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione (CID 64882943) is 3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione is CCC(C)C1NC(=O)CC(C)N(C2CCOC2)C1=O.
What is the InChIKey of 3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione?
The InChIKey is QDWLNOXWBITDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-9(2)13-14(18)16(11-5-6-19-8-11)10(3)7-12(17)15-13/h9-11,13H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione?
3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64882943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).