1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione

C13H22N2O2 — CID 64958811

IUPAC1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(C2CCCCC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-2-11-13(17)15(9-8-12(16)14-11)10-6-4-3-5-7-10/h10-11H,2-9H2,1H3,(H,14,16)
InChIKeyRFLYXNVYPCFHGO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.45
Rot. Bonds2

About 1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione

1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione (PubChem CID 64958811) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione
PubChem CID64958811
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(C2CCCCC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-2-11-13(17)15(9-8-12(16)14-11)10-6-4-3-5-7-10/h10-11H,2-9H2,1H3,(H,14,16)
InChIKeyRFLYXNVYPCFHGO-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione (CID 64958811) is 1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione is CCC1NC(=O)CCN(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione?
The InChIKey is RFLYXNVYPCFHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-11-13(17)15(9-8-12(16)14-11)10-6-4-3-5-7-10/h10-11H,2-9H2,1H3,(H,14,16).
What are the key properties of 1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione?
1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64958811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).