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

C19H28N2O2 — CID 57186218

IUPAC9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCCN1CC2(CCN(CCc3ccccc3)CC2)OCC1=O
InChIInChI=1S/C19H28N2O2/c1-2-11-21-16-19(23-15-18(21)22)9-13-20(14-10-19)12-8-17-6-4-3-5-7-17/h3-7H,2,8-16H2,1H3
InChIKeyPHLVSMAGRDBJOW-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.33
Rot. Bonds5

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

9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 57186218) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID57186218
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCCN1CC2(CCN(CCc3ccccc3)CC2)OCC1=O
InChIInChI=1S/C19H28N2O2/c1-2-11-21-16-19(23-15-18(21)22)9-13-20(14-10-19)12-8-17-6-4-3-5-7-17/h3-7H,2,8-16H2,1H3
InChIKeyPHLVSMAGRDBJOW-UHFFFAOYSA-N
XLogP2.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 57186218) is 9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCCN1CC2(CCN(CCc3ccccc3)CC2)OCC1=O.
What is the InChIKey of 9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is PHLVSMAGRDBJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-11-21-16-19(23-15-18(21)22)9-13-20(14-10-19)12-8-17-6-4-3-5-7-17/h3-7H,2,8-16H2,1H3.
What are the key properties of 9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 316.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 57186218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).