(5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

C16H26N2O3 — CID 97384827

IUPAC(5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCOCCN1CC[C@]2(COCCN(Cc3ccoc3)C2)C1
InChIInChI=1S/C16H26N2O3/c1-19-8-5-17-4-3-16(12-17)13-18(6-9-21-14-16)10-15-2-7-20-11-15/h2,7,11H,3-6,8-10,12-14H2,1H3/t16-/m0/s1
InChIKeyHPEQOGHBEDDPDD-INIZCTEOSA-N
MW294.39 g/mol
LogP1.45
Rot. Bonds5

About (5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

(5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97384827) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is (5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97384827
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCOCCN1CC[C@]2(COCCN(Cc3ccoc3)C2)C1
InChIInChI=1S/C16H26N2O3/c1-19-8-5-17-4-3-16(12-17)13-18(6-9-21-14-16)10-15-2-7-20-11-15/h2,7,11H,3-6,8-10,12-14H2,1H3/t16-/m0/s1
InChIKeyHPEQOGHBEDDPDD-INIZCTEOSA-N
XLogP1.45
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97384827) is (5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is COCCN1CC[C@]2(COCCN(Cc3ccoc3)C2)C1.
What is the InChIKey of (5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is HPEQOGHBEDDPDD-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-19-8-5-17-4-3-16(12-17)13-18(6-9-21-14-16)10-15-2-7-20-11-15/h2,7,11H,3-6,8-10,12-14H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
(5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 294.39 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97384827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).