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

C15H26N2O3 — CID 64882470

IUPAC3-cyclohexyl-1-(3-methoxypropyl)-1,4-diazepane-2,5-dione
SMILESCOCCCN1CCC(=O)NC(C2CCCCC2)C1=O
InChIInChI=1S/C15H26N2O3/c1-20-11-5-9-17-10-8-13(18)16-14(15(17)19)12-6-3-2-4-7-12/h12,14H,2-11H2,1H3,(H,16,18)
InChIKeyIVFYKNXLLYOZAL-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.32
Rot. Bonds5

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

3-cyclohexyl-1-(3-methoxypropyl)-1,4-diazepane-2,5-dione (PubChem CID 64882470) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3-methoxypropyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-(3-methoxypropyl)-1,4-diazepane-2,5-dione
PubChem CID64882470
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-cyclohexyl-1-(3-methoxypropyl)-1,4-diazepane-2,5-dione
SMILESCOCCCN1CCC(=O)NC(C2CCCCC2)C1=O
InChIInChI=1S/C15H26N2O3/c1-20-11-5-9-17-10-8-13(18)16-14(15(17)19)12-6-3-2-4-7-12/h12,14H,2-11H2,1H3,(H,16,18)
InChIKeyIVFYKNXLLYOZAL-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione
CID 81110439
3-cyclohexyl-1-propyl-1,4-diazepane-2,5-dione
CID 64883054
1-(3-methoxypropyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64884105
3-cyclohexyl-1-(2-methylsulfonylethyl)-1,4-diazepane-2,5-dione
CID 64881696
3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione
CID 64963843
3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione
CID 64881695
3-cyclopropyl-1-(3-methylsulfanylpropyl)-1,4-diazepane-2,5-dione
CID 64972038
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-tert-butyl-1-(4-methoxybutyl)-1,4-diazepane-2,5-dione
CID 64967515
1-(3-methoxypropyl)-3-methylpiperazin-2-one
CID 63608171
3-cyclohexyl-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64882664

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3-methoxypropyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclohexyl-1-(3-methoxypropyl)-1,4-diazepane-2,5-dione (CID 64882470) is 3-cyclohexyl-1-(3-methoxypropyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-1-(3-methoxypropyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclohexyl-1-(3-methoxypropyl)-1,4-diazepane-2,5-dione is COCCCN1CCC(=O)NC(C2CCCCC2)C1=O.
What is the InChIKey of 3-cyclohexyl-1-(3-methoxypropyl)-1,4-diazepane-2,5-dione?
The InChIKey is IVFYKNXLLYOZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-20-11-5-9-17-10-8-13(18)16-14(15(17)19)12-6-3-2-4-7-12/h12,14H,2-11H2,1H3,(H,16,18).
What are the key properties of 3-cyclohexyl-1-(3-methoxypropyl)-1,4-diazepane-2,5-dione?
3-cyclohexyl-1-(3-methoxypropyl)-1,4-diazepane-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3-methoxypropyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64882470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).