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

C16H26N2O3 — CID 64882664

IUPAC3-cyclohexyl-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione
SMILESO=C1CCN(CC2CCOC2)C(=O)C(C2CCCCC2)N1
InChIInChI=1S/C16H26N2O3/c19-14-6-8-18(10-12-7-9-21-11-12)16(20)15(17-14)13-4-2-1-3-5-13/h12-13,15H,1-11H2,(H,17,19)
InChIKeyJWLKMBJFWFTXMY-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.32
Rot. Bonds3

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

3-cyclohexyl-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione (PubChem CID 64882664) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-cyclohexyl-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione
PubChem CID64882664
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name3-cyclohexyl-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione
SMILESO=C1CCN(CC2CCOC2)C(=O)C(C2CCCCC2)N1
InChIInChI=1S/C16H26N2O3/c19-14-6-8-18(10-12-7-9-21-11-12)16(20)15(17-14)13-4-2-1-3-5-13/h12-13,15H,1-11H2,(H,17,19)
InChIKeyJWLKMBJFWFTXMY-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione
CID 64881695
3-cyclohexyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64881332
3-cyclohexyl-1-propyl-1,4-diazepane-2,5-dione
CID 64883054
1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione
CID 107898452
3-(2-methylpropyl)-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64882199
3-cyclohexyl-1-prop-2-ynyl-1,4-diazepane-2,5-dione
CID 64963770
3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione
CID 64963843
3-cyclopropyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 64967452
3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione
CID 81110439
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
3,3-dimethyl-1-(oxan-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64967761

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclohexyl-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione (CID 64882664) is 3-cyclohexyl-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclohexyl-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione is O=C1CCN(CC2CCOC2)C(=O)C(C2CCCCC2)N1.
What is the InChIKey of 3-cyclohexyl-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione?
The InChIKey is JWLKMBJFWFTXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-14-6-8-18(10-12-7-9-21-11-12)16(20)15(17-14)13-4-2-1-3-5-13/h12-13,15H,1-11H2,(H,17,19).
What are the key properties of 3-cyclohexyl-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione?
3-cyclohexyl-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione has a molecular weight of 294.39 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64882664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).