(3R)-3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

C16H29NO3 — CID 97371480

IUPAC(3R)-3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCO[C@H]1COC2(CCN(CC3CCOCC3)CC2)C1
InChIInChI=1S/C16H29NO3/c1-2-19-15-11-16(20-13-15)5-7-17(8-6-16)12-14-3-9-18-10-4-14/h14-15H,2-13H2,1H3/t15-/m1/s1
InChIKeyVPAYHULQAFSFOH-OAHLLOKOSA-N
MW283.41 g/mol
LogP2.07
Rot. Bonds4

About (3R)-3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

(3R)-3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97371480) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is (3R)-3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID97371480
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name(3R)-3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCO[C@H]1COC2(CCN(CC3CCOCC3)CC2)C1
InChIInChI=1S/C16H29NO3/c1-2-19-15-11-16(20-13-15)5-7-17(8-6-16)12-14-3-9-18-10-4-14/h14-15H,2-13H2,1H3/t15-/m1/s1
InChIKeyVPAYHULQAFSFOH-OAHLLOKOSA-N
XLogP2.07
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 97371480) is (3R)-3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is CCO[C@H]1COC2(CCN(CC3CCOCC3)CC2)C1.
What is the InChIKey of (3R)-3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is VPAYHULQAFSFOH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-19-15-11-16(20-13-15)5-7-17(8-6-16)12-14-3-9-18-10-4-14/h14-15H,2-13H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
(3R)-3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 283.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethoxy-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97371480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).