8-benzyl-1,4,8-oxadiazecan-5-one

C14H20N2O2 — CID 110200993

IUPAC8-benzyl-1,4,8-oxadiazecan-5-one
SMILESO=C1CCN(Cc2ccccc2)CCOCCN1
InChIInChI=1S/C14H20N2O2/c17-14-6-8-16(9-11-18-10-7-15-14)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,15,17)
InChIKeyAQLPFNRWWVLOMS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.03
Rot. Bonds2

About 8-benzyl-1,4,8-oxadiazecan-5-one

8-benzyl-1,4,8-oxadiazecan-5-one (PubChem CID 110200993) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 8-benzyl-1,4,8-oxadiazecan-5-one.

Molecular Properties

Compound Name8-benzyl-1,4,8-oxadiazecan-5-one
PubChem CID110200993
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name8-benzyl-1,4,8-oxadiazecan-5-one
SMILESO=C1CCN(Cc2ccccc2)CCOCCN1
InChIInChI=1S/C14H20N2O2/c17-14-6-8-16(9-11-18-10-7-15-14)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,15,17)
InChIKeyAQLPFNRWWVLOMS-UHFFFAOYSA-N
XLogP1.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione
CID 10088312
1-benzyl-1,4-diazepan-5-one;1-methyl-1,4-diazepan-5-one
CID 91058737
dilithium;4-benzylmorpholine;sulfite
CID 160525639
1-[[3-(4-morpholin-4-ylbutoxy)phenyl]methyl]-1,4-diazepan-5-one
CID 77093940
7-benzyl-16-bromo-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 177071319
1-benzylpiperidin-4-one;4-(2-isocyanoethyl)morpholine
CID 87821713
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4,14-dibenzyl-1,1-dioxo-1λ6-thia-4,7,11,14-tetrazacyclohexadecane-8,10-dione
CID 10929024
1-benzylpiperidin-4-one;butane
CID 70571840
1-(1-benzylpyrazol-3-yl)-1,4-diazepan-5-one
CID 126655465
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-1,4,8-oxadiazecan-5-one?
The IUPAC name of 8-benzyl-1,4,8-oxadiazecan-5-one (CID 110200993) is 8-benzyl-1,4,8-oxadiazecan-5-one.
What is the SMILES notation for 8-benzyl-1,4,8-oxadiazecan-5-one?
The canonical SMILES for 8-benzyl-1,4,8-oxadiazecan-5-one is O=C1CCN(Cc2ccccc2)CCOCCN1.
What is the InChIKey of 8-benzyl-1,4,8-oxadiazecan-5-one?
The InChIKey is AQLPFNRWWVLOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14-6-8-16(9-11-18-10-7-15-14)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,15,17).
What are the key properties of 8-benzyl-1,4,8-oxadiazecan-5-one?
8-benzyl-1,4,8-oxadiazecan-5-one has a molecular weight of 248.33 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-1,4,8-oxadiazecan-5-one is sourced from PubChem (CID 110200993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).