12-methyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one

C19H26N2O2 — CID 118561105

IUPAC12-methyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESCN1CC2(CCN(CCc3ccccc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C19H26N2O2/c1-20-15-18(23-19(8-9-19)17(20)22)10-13-21(14-11-18)12-7-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeyZUGPOQBHNCDHMW-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.08
Rot. Bonds3

About 12-methyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one

12-methyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one (PubChem CID 118561105) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 12-methyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one.

Molecular Properties

Compound Name12-methyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
PubChem CID118561105
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name12-methyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESCN1CC2(CCN(CCc3ccccc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C19H26N2O2/c1-20-15-18(23-19(8-9-19)17(20)22)10-13-21(14-11-18)12-7-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeyZUGPOQBHNCDHMW-UHFFFAOYSA-N
XLogP2.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The IUPAC name of 12-methyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one (CID 118561105) is 12-methyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one.
What is the SMILES notation for 12-methyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The canonical SMILES for 12-methyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one is CN1CC2(CCN(CCc3ccccc3)CC2)OC2(CC2)C1=O.
What is the InChIKey of 12-methyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The InChIKey is ZUGPOQBHNCDHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-20-15-18(23-19(8-9-19)17(20)22)10-13-21(14-11-18)12-7-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3.
What are the key properties of 12-methyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
12-methyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one has a molecular weight of 314.43 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one is sourced from PubChem (CID 118561105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).