13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one

C25H30N2O2 — CID 129053811

IUPAC13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
SMILESO=C1N(c2ccccc2)CC2(CCCN(CCc3ccccc3)CC2)OC12CC2
InChIInChI=1S/C25H30N2O2/c28-23-25(14-15-25)29-24(20-27(23)22-10-5-2-6-11-22)13-7-17-26(19-16-24)18-12-21-8-3-1-4-9-21/h1-6,8-11H,7,12-20H2
InChIKeyHAIVGHXFISHJHU-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.05
Rot. Bonds4

About 13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one

13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one (PubChem CID 129053811) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one.

Molecular Properties

Compound Name13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
PubChem CID129053811
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
SMILESO=C1N(c2ccccc2)CC2(CCCN(CCc3ccccc3)CC2)OC12CC2
InChIInChI=1S/C25H30N2O2/c28-23-25(14-15-25)29-24(20-27(23)22-10-5-2-6-11-22)13-7-17-26(19-16-24)18-12-21-8-3-1-4-9-21/h1-6,8-11H,7,12-20H2
InChIKeyHAIVGHXFISHJHU-UHFFFAOYSA-N
XLogP4.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
The IUPAC name of 13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one (CID 129053811) is 13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one.
What is the SMILES notation for 13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
The canonical SMILES for 13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one is O=C1N(c2ccccc2)CC2(CCCN(CCc3ccccc3)CC2)OC12CC2.
What is the InChIKey of 13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
The InChIKey is HAIVGHXFISHJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c28-23-25(14-15-25)29-24(20-27(23)22-10-5-2-6-11-22)13-7-17-26(19-16-24)18-12-21-8-3-1-4-9-21/h1-6,8-11H,7,12-20H2.
What are the key properties of 13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one has a molecular weight of 390.53 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one is sourced from PubChem (CID 129053811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).