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

C15H26N2O2 — CID 64958879

IUPAC1-cyclohexyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
SMILESCC(C)CC1NC(=O)CCN(C2CCCCC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-11(2)10-13-15(19)17(9-8-14(18)16-13)12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H,16,18)
InChIKeyQSQWYVJTRDZJET-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds3

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

1-cyclohexyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione (PubChem CID 64958879) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
PubChem CID64958879
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-cyclohexyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
SMILESCC(C)CC1NC(=O)CCN(C2CCCCC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-11(2)10-13-15(19)17(9-8-14(18)16-13)12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H,16,18)
InChIKeyQSQWYVJTRDZJET-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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Related Compounds

1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione
CID 64958811
3-(2-methylpropyl)-1-(thiolan-3-yl)-1,4-diazepane-2,5-dione
CID 103065096
3-butan-2-yl-1-cycloheptyl-1,4-diazepane-2,5-dione
CID 64959828
1-(1-methylcyclopentyl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64973589
1-(1,1-dioxothian-4-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960905
1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 64956962
1-(2-methylbutan-2-yl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64958124
3-(2-methylpropyl)-1-(1-methylsulfanylpropan-2-yl)-1,4-diazepane-2,5-dione
CID 113473111
1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64972851
1-(3-methoxycyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64879586
3-(2-methylpropyl)-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazepane-2,5-dione
CID 79361963
1-cyclopropyl-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64958484

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione (CID 64958879) is 1-cyclohexyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione is CC(C)CC1NC(=O)CCN(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione?
The InChIKey is QSQWYVJTRDZJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)10-13-15(19)17(9-8-14(18)16-13)12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H,16,18).
What are the key properties of 1-cyclohexyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione?
1-cyclohexyl-3-(2-methylpropyl)-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 1-cyclohexyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64958879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).