8-(2-cyclohexylacetyl)-1-oxa-4,8-diazacycloundecan-5-one

C16H28N2O3 — CID 110201626

IUPAC8-(2-cyclohexylacetyl)-1-oxa-4,8-diazacycloundecan-5-one
SMILESO=C1CCN(C(=O)CC2CCCCC2)CCCOCCN1
InChIInChI=1S/C16H28N2O3/c19-15-7-10-18(9-4-11-21-12-8-17-15)16(20)13-14-5-2-1-3-6-14/h14H,1-13H2,(H,17,19)
InChIKeyPGGQQXJFFWVQHG-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds2

About 8-(2-cyclohexylacetyl)-1-oxa-4,8-diazacycloundecan-5-one

8-(2-cyclohexylacetyl)-1-oxa-4,8-diazacycloundecan-5-one (PubChem CID 110201626) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 8-(2-cyclohexylacetyl)-1-oxa-4,8-diazacycloundecan-5-one.

Molecular Properties

Compound Name8-(2-cyclohexylacetyl)-1-oxa-4,8-diazacycloundecan-5-one
PubChem CID110201626
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name8-(2-cyclohexylacetyl)-1-oxa-4,8-diazacycloundecan-5-one
SMILESO=C1CCN(C(=O)CC2CCCCC2)CCCOCCN1
InChIInChI=1S/C16H28N2O3/c19-15-7-10-18(9-4-11-21-12-8-17-15)16(20)13-14-5-2-1-3-6-14/h14H,1-13H2,(H,17,19)
InChIKeyPGGQQXJFFWVQHG-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-cyclohexylacetyl)-1-oxa-4,8-diazacycloundecan-5-one?
The IUPAC name of 8-(2-cyclohexylacetyl)-1-oxa-4,8-diazacycloundecan-5-one (CID 110201626) is 8-(2-cyclohexylacetyl)-1-oxa-4,8-diazacycloundecan-5-one.
What is the SMILES notation for 8-(2-cyclohexylacetyl)-1-oxa-4,8-diazacycloundecan-5-one?
The canonical SMILES for 8-(2-cyclohexylacetyl)-1-oxa-4,8-diazacycloundecan-5-one is O=C1CCN(C(=O)CC2CCCCC2)CCCOCCN1.
What is the InChIKey of 8-(2-cyclohexylacetyl)-1-oxa-4,8-diazacycloundecan-5-one?
The InChIKey is PGGQQXJFFWVQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c19-15-7-10-18(9-4-11-21-12-8-17-15)16(20)13-14-5-2-1-3-6-14/h14H,1-13H2,(H,17,19).
What are the key properties of 8-(2-cyclohexylacetyl)-1-oxa-4,8-diazacycloundecan-5-one?
8-(2-cyclohexylacetyl)-1-oxa-4,8-diazacycloundecan-5-one has a molecular weight of 296.41 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-cyclohexylacetyl)-1-oxa-4,8-diazacycloundecan-5-one is sourced from PubChem (CID 110201626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).