1-cyclohexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione

C14H24N2O2 — CID 82936291

IUPAC1-cyclohexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione
SMILESCC1CC(=O)NC(C)(C)C(=O)N1C1CCCCC1
InChIInChI=1S/C14H24N2O2/c1-10-9-12(17)15-14(2,3)13(18)16(10)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyXJINQGXMCJICEU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.83
Rot. Bonds1

About 1-cyclohexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione

1-cyclohexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione (PubChem CID 82936291) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-cyclohexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione
PubChem CID82936291
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-cyclohexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione
SMILESCC1CC(=O)NC(C)(C)C(=O)N1C1CCCCC1
InChIInChI=1S/C14H24N2O2/c1-10-9-12(17)15-14(2,3)13(18)16(10)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyXJINQGXMCJICEU-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-cyclohexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione (CID 82936291) is 1-cyclohexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione is CC1CC(=O)NC(C)(C)C(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione?
The InChIKey is XJINQGXMCJICEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10-9-12(17)15-14(2,3)13(18)16(10)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 1-cyclohexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione?
1-cyclohexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 82936291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).