3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione

C16H28N2O2 — CID 64963843

IUPAC3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione
SMILESCC(C)(C)CN1CCC(=O)NC(C2CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-16(2,3)11-18-10-9-13(19)17-14(15(18)20)12-7-5-4-6-8-12/h12,14H,4-11H2,1-3H3,(H,17,19)
InChIKeyZHUHWGXKNGCJOS-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds2

About 3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione

3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione (PubChem CID 64963843) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione
PubChem CID64963843
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione
SMILESCC(C)(C)CN1CCC(=O)NC(C2CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-16(2,3)11-18-10-9-13(19)17-14(15(18)20)12-7-5-4-6-8-12/h12,14H,4-11H2,1-3H3,(H,17,19)
InChIKeyZHUHWGXKNGCJOS-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-propyl-1,4-diazepane-2,5-dione
CID 64883054
3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione
CID 64881695
3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione
CID 81110439
1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione
CID 107898452
3-cyclohexyl-1-prop-2-ynyl-1,4-diazepane-2,5-dione
CID 64963770
3-cyclohexyl-1-(2-methylsulfonylethyl)-1,4-diazepane-2,5-dione
CID 64881696
3-cyclohexyl-1-(3-methoxypropyl)-1,4-diazepane-2,5-dione
CID 64882470
3-cyclohexyl-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64882664
3-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-1,4-diazepane-2,5-dione
CID 64882673
3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione
CID 64971130
3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane-2,5-dione
CID 64882286
3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione
CID 64957202

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione (CID 64963843) is 3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione is CC(C)(C)CN1CCC(=O)NC(C2CCCCC2)C1=O.
What is the InChIKey of 3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione?
The InChIKey is ZHUHWGXKNGCJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-16(2,3)11-18-10-9-13(19)17-14(15(18)20)12-7-5-4-6-8-12/h12,14H,4-11H2,1-3H3,(H,17,19).
What are the key properties of 3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione?
3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64963843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).