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

C14H24N2O3 — CID 64960815

IUPAC3,3-diethyl-1-(oxan-4-yl)-1,4-diazepane-2,5-dione
SMILESCCC1(CC)NC(=O)CCN(C2CCOCC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-3-14(4-2)13(18)16(8-5-12(17)15-14)11-6-9-19-10-7-11/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeyPSAUJAWLSFDTST-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.07
Rot. Bonds3

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

3,3-diethyl-1-(oxan-4-yl)-1,4-diazepane-2,5-dione (PubChem CID 64960815) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3,3-diethyl-1-(oxan-4-yl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(oxan-4-yl)-1,4-diazepane-2,5-dione
PubChem CID64960815
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3,3-diethyl-1-(oxan-4-yl)-1,4-diazepane-2,5-dione
SMILESCCC1(CC)NC(=O)CCN(C2CCOCC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-3-14(4-2)13(18)16(8-5-12(17)15-14)11-6-9-19-10-7-11/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeyPSAUJAWLSFDTST-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione
CID 64958518
1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione
CID 64959115
1-cyclohexyl-3,3-diethylpiperazine-2,5-dione
CID 64958892
1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione
CID 83039336
1-(oxan-4-yl)-1,4-diazepane-2,5-dione
CID 64960879
3,3-diethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
CID 82736239
1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione
CID 83039447
3,3-diethyl-1-[(E)-pent-3-enyl]-1,4-diazepane-2,5-dione
CID 113466165
3,3-diethyl-1-(2-methylsulfanylpropyl)-1,4-diazepane-2,5-dione
CID 113466958
3,3-diethyl-1-(5-methylhexyl)-1,4-diazepane-2,5-dione
CID 115327206
3,3-diethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane-2,5-dione
CID 64882509
3,3-diethyl-1-(2-pyridin-4-ylethyl)-1,4-diazepane-2,5-dione
CID 64964114

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(oxan-4-yl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(oxan-4-yl)-1,4-diazepane-2,5-dione (CID 64960815) is 3,3-diethyl-1-(oxan-4-yl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(oxan-4-yl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(oxan-4-yl)-1,4-diazepane-2,5-dione is CCC1(CC)NC(=O)CCN(C2CCOCC2)C1=O.
What is the InChIKey of 3,3-diethyl-1-(oxan-4-yl)-1,4-diazepane-2,5-dione?
The InChIKey is PSAUJAWLSFDTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-14(4-2)13(18)16(8-5-12(17)15-14)11-6-9-19-10-7-11/h11H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 3,3-diethyl-1-(oxan-4-yl)-1,4-diazepane-2,5-dione?
3,3-diethyl-1-(oxan-4-yl)-1,4-diazepane-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(oxan-4-yl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64960815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).