8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one

C20H28N2O2 — CID 129053852

IUPAC8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
SMILESCCN1CC2(CCCN(Cc3ccccc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C20H28N2O2/c1-2-22-16-19(24-20(10-11-20)18(22)23)9-6-13-21(14-12-19)15-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3
InChIKeyNBGKEOUVHIEVLT-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.82
Rot. Bonds3

About 8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one

8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one (PubChem CID 129053852) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one.

Molecular Properties

Compound Name8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
PubChem CID129053852
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
SMILESCCN1CC2(CCCN(Cc3ccccc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C20H28N2O2/c1-2-22-16-19(24-20(10-11-20)18(22)23)9-6-13-21(14-12-19)15-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3
InChIKeyNBGKEOUVHIEVLT-UHFFFAOYSA-N
XLogP2.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
The IUPAC name of 8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one (CID 129053852) is 8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one.
What is the SMILES notation for 8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
The canonical SMILES for 8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one is CCN1CC2(CCCN(Cc3ccccc3)CC2)OC2(CC2)C1=O.
What is the InChIKey of 8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
The InChIKey is NBGKEOUVHIEVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-2-22-16-19(24-20(10-11-20)18(22)23)9-6-13-21(14-12-19)15-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3.
What are the key properties of 8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one has a molecular weight of 328.46 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one is sourced from PubChem (CID 129053852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).