13-benzyl-8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane

C22H34N2O — CID 129070164

IUPAC13-benzyl-8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane
SMILESCC(C)CN1CCCC2(CC1)CN(Cc1ccccc1)CC1(CC1)O2
InChIInChI=1S/C22H34N2O/c1-19(2)15-23-13-6-9-21(12-14-23)17-24(18-22(25-21)10-11-22)16-20-7-4-3-5-8-20/h3-5,7-8,19H,6,9-18H2,1-2H3
InChIKeyNCSZKRJYMKWGQJ-UHFFFAOYSA-N
MW342.53 g/mol
LogP3.93
Rot. Bonds4

About 13-benzyl-8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane

13-benzyl-8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane (PubChem CID 129070164) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 13-benzyl-8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane.

Molecular Properties

Compound Name13-benzyl-8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane
PubChem CID129070164
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name13-benzyl-8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane
SMILESCC(C)CN1CCCC2(CC1)CN(Cc1ccccc1)CC1(CC1)O2
InChIInChI=1S/C22H34N2O/c1-19(2)15-23-13-6-9-21(12-14-23)17-24(18-22(25-21)10-11-22)16-20-7-4-3-5-8-20/h3-5,7-8,19H,6,9-18H2,1-2H3
InChIKeyNCSZKRJYMKWGQJ-UHFFFAOYSA-N
XLogP3.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13-benzyl-8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
The IUPAC name of 13-benzyl-8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane (CID 129070164) is 13-benzyl-8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane.
What is the SMILES notation for 13-benzyl-8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
The canonical SMILES for 13-benzyl-8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane is CC(C)CN1CCCC2(CC1)CN(Cc1ccccc1)CC1(CC1)O2.
What is the InChIKey of 13-benzyl-8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
The InChIKey is NCSZKRJYMKWGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O/c1-19(2)15-23-13-6-9-21(12-14-23)17-24(18-22(25-21)10-11-22)16-20-7-4-3-5-8-20/h3-5,7-8,19H,6,9-18H2,1-2H3.
What are the key properties of 13-benzyl-8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
13-benzyl-8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane has a molecular weight of 342.53 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-benzyl-8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane is sourced from PubChem (CID 129070164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).