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

C17H28N2O2 — CID 64881695

IUPAC3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione
SMILESO=C1CCN(CC2CCCC2)C(=O)C(C2CCCCC2)N1
InChIInChI=1S/C17H28N2O2/c20-15-10-11-19(12-13-6-4-5-7-13)17(21)16(18-15)14-8-2-1-3-9-14/h13-14,16H,1-12H2,(H,18,20)
InChIKeyFVOVBQBJPUZXBL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.47
Rot. Bonds3

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

3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione (PubChem CID 64881695) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione
PubChem CID64881695
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione
SMILESO=C1CCN(CC2CCCC2)C(=O)C(C2CCCCC2)N1
InChIInChI=1S/C17H28N2O2/c20-15-10-11-19(12-13-6-4-5-7-13)17(21)16(18-15)14-8-2-1-3-9-14/h13-14,16H,1-12H2,(H,18,20)
InChIKeyFVOVBQBJPUZXBL-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione (CID 64881695) is 3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione is O=C1CCN(CC2CCCC2)C(=O)C(C2CCCCC2)N1.
What is the InChIKey of 3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione?
The InChIKey is FVOVBQBJPUZXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-15-10-11-19(12-13-6-4-5-7-13)17(21)16(18-15)14-8-2-1-3-9-14/h13-14,16H,1-12H2,(H,18,20).
What are the key properties of 3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione?
3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione has a molecular weight of 292.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64881695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).