9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C16H22N2O2 — CID 13061731

IUPAC9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(CCc3ccccc3)CC2)CN1
InChIInChI=1S/C16H22N2O2/c19-15-12-20-16(13-17-15)7-10-18(11-8-16)9-6-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,17,19)
InChIKeyMBTRUDIMWYYDOC-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.21
Rot. Bonds3

About 9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 13061731) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID13061731
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(CCc3ccccc3)CC2)CN1
InChIInChI=1S/C16H22N2O2/c19-15-12-20-16(13-17-15)7-10-18(11-8-16)9-6-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,17,19)
InChIKeyMBTRUDIMWYYDOC-UHFFFAOYSA-N
XLogP1.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 13061731) is 9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(CCc3ccccc3)CC2)CN1.
What is the InChIKey of 9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MBTRUDIMWYYDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15-12-20-16(13-17-15)7-10-18(11-8-16)9-6-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,17,19).
What are the key properties of 9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 274.36 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 13061731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).