1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione

C15H26N2O2 — CID 64959223

IUPAC1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(C2CCCC(C)C2C)C1=O
InChIInChI=1S/C15H26N2O2/c1-4-12-15(19)17(9-8-14(18)16-12)13-7-5-6-10(2)11(13)3/h10-13H,4-9H2,1-3H3,(H,16,18)
InChIKeyLCVGTUSPTLLHLI-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.94
Rot. Bonds2

About 1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione

1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione (PubChem CID 64959223) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione
PubChem CID64959223
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(C2CCCC(C)C2C)C1=O
InChIInChI=1S/C15H26N2O2/c1-4-12-15(19)17(9-8-14(18)16-12)13-7-5-6-10(2)11(13)3/h10-13H,4-9H2,1-3H3,(H,16,18)
InChIKeyLCVGTUSPTLLHLI-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione (CID 64959223) is 1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione is CCC1NC(=O)CCN(C2CCCC(C)C2C)C1=O.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione?
The InChIKey is LCVGTUSPTLLHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-12-15(19)17(9-8-14(18)16-12)13-7-5-6-10(2)11(13)3/h10-13H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione?
1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64959223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).