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

C15H26N2O2 — CID 64973427

IUPAC3-ethyl-1-(3-ethylcyclohexyl)-1,4-diazepane-2,5-dione
SMILESCCC1CCCC(N2CCC(=O)NC(CC)C2=O)C1
InChIInChI=1S/C15H26N2O2/c1-3-11-6-5-7-12(10-11)17-9-8-14(18)16-13(4-2)15(17)19/h11-13H,3-10H2,1-2H3,(H,16,18)
InChIKeyPGSPIOZWBFKRHQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds3

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

3-ethyl-1-(3-ethylcyclohexyl)-1,4-diazepane-2,5-dione (PubChem CID 64973427) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-ethyl-1-(3-ethylcyclohexyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(3-ethylcyclohexyl)-1,4-diazepane-2,5-dione
PubChem CID64973427
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-ethyl-1-(3-ethylcyclohexyl)-1,4-diazepane-2,5-dione
SMILESCCC1CCCC(N2CCC(=O)NC(CC)C2=O)C1
InChIInChI=1S/C15H26N2O2/c1-3-11-6-5-7-12(10-11)17-9-8-14(18)16-13(4-2)15(17)19/h11-13H,3-10H2,1-2H3,(H,16,18)
InChIKeyPGSPIOZWBFKRHQ-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-ethylcyclohexyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-ethyl-1-(3-ethylcyclohexyl)-1,4-diazepane-2,5-dione (CID 64973427) is 3-ethyl-1-(3-ethylcyclohexyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(3-ethylcyclohexyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-ethyl-1-(3-ethylcyclohexyl)-1,4-diazepane-2,5-dione is CCC1CCCC(N2CCC(=O)NC(CC)C2=O)C1.
What is the InChIKey of 3-ethyl-1-(3-ethylcyclohexyl)-1,4-diazepane-2,5-dione?
The InChIKey is PGSPIOZWBFKRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-11-6-5-7-12(10-11)17-9-8-14(18)16-13(4-2)15(17)19/h11-13H,3-10H2,1-2H3,(H,16,18).
What are the key properties of 3-ethyl-1-(3-ethylcyclohexyl)-1,4-diazepane-2,5-dione?
3-ethyl-1-(3-ethylcyclohexyl)-1,4-diazepane-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-ethylcyclohexyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64973427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).