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

C16H28N2O2 — CID 64959174

IUPAC1-(2,3-dimethylcyclohexyl)-3-propyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CCN(C2CCCC(C)C2C)C1=O
InChIInChI=1S/C16H28N2O2/c1-4-6-13-16(20)18(10-9-15(19)17-13)14-8-5-7-11(2)12(14)3/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeySWHYIPLWTYWMNG-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds3

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

1-(2,3-dimethylcyclohexyl)-3-propyl-1,4-diazepane-2,5-dione (PubChem CID 64959174) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-3-propyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-3-propyl-1,4-diazepane-2,5-dione
PubChem CID64959174
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(2,3-dimethylcyclohexyl)-3-propyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CCN(C2CCCC(C)C2C)C1=O
InChIInChI=1S/C16H28N2O2/c1-4-6-13-16(20)18(10-9-15(19)17-13)14-8-5-7-11(2)12(14)3/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeySWHYIPLWTYWMNG-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 64959223
1-(2-ethylcyclohexyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64964362
3-tert-butyl-1-(2,3-dimethylcyclohexyl)-1,4-diazepane-2,5-dione
CID 64959090
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-propyl-1,4-diazepane-2,5-dione
CID 64958116
1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione
CID 64959115
1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64959091
1-(2-methylcyclopentyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64970378
1-[2-(4-methylcyclohexyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64972287
3-(2-methylcycloheptyl)-5-propylimidazolidin-4-one
CID 83258446
3-propyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane-2,5-dione
CID 64881850
1-(2-methylcyclopentyl)-1,3-diazinane-2,4-dione
CID 79777374
1-(2,3-dimethylcyclohexyl)imidazolidin-2-one
CID 115370395

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)-3-propyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-3-propyl-1,4-diazepane-2,5-dione (CID 64959174) is 1-(2,3-dimethylcyclohexyl)-3-propyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-3-propyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-3-propyl-1,4-diazepane-2,5-dione is CCCC1NC(=O)CCN(C2CCCC(C)C2C)C1=O.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-3-propyl-1,4-diazepane-2,5-dione?
The InChIKey is SWHYIPLWTYWMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-6-13-16(20)18(10-9-15(19)17-13)14-8-5-7-11(2)12(14)3/h11-14H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 1-(2,3-dimethylcyclohexyl)-3-propyl-1,4-diazepane-2,5-dione?
1-(2,3-dimethylcyclohexyl)-3-propyl-1,4-diazepane-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 3 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-propyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64959174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).