(5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

C19H30N2O2 — CID 97472054

IUPAC(5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCOCCN1CC[C@]2(COCCN(CCc3ccccc3)C2)C1
InChIInChI=1S/C19H30N2O2/c1-22-13-11-21-10-8-19(16-21)15-20(12-14-23-17-19)9-7-18-5-3-2-4-6-18/h2-6H,7-17H2,1H3/t19-/m1/s1
InChIKeyDBGPSAHXVNKNHH-LJQANCHMSA-N
MW318.46 g/mol
LogP1.90
Rot. Bonds6

About (5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

(5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97472054) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97472054
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCOCCN1CC[C@]2(COCCN(CCc3ccccc3)C2)C1
InChIInChI=1S/C19H30N2O2/c1-22-13-11-21-10-8-19(16-21)15-20(12-14-23-17-19)9-7-18-5-3-2-4-6-18/h2-6H,7-17H2,1H3/t19-/m1/s1
InChIKeyDBGPSAHXVNKNHH-LJQANCHMSA-N
XLogP1.90
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97472054) is (5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is COCCN1CC[C@]2(COCCN(CCc3ccccc3)C2)C1.
What is the InChIKey of (5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is DBGPSAHXVNKNHH-LJQANCHMSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-22-13-11-21-10-8-19(16-21)15-20(12-14-23-17-19)9-7-18-5-3-2-4-6-18/h2-6H,7-17H2,1H3/t19-/m1/s1.
What are the key properties of (5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
(5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 318.46 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97472054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).