2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol

C17H26N2O2 — CID 110131131

IUPAC2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol
SMILESCN(c1ccccc1)C1COC2(CCN(CCO)CC2)C1
InChIInChI=1S/C17H26N2O2/c1-18(15-5-3-2-4-6-15)16-13-17(21-14-16)7-9-19(10-8-17)11-12-20/h2-6,16,20H,7-14H2,1H3
InChIKeyNDJVPKGCXAMKIS-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.74
Rot. Bonds4

About 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol

2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol (PubChem CID 110131131) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol.

Molecular Properties

Compound Name2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol
PubChem CID110131131
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol
SMILESCN(c1ccccc1)C1COC2(CCN(CCO)CC2)C1
InChIInChI=1S/C17H26N2O2/c1-18(15-5-3-2-4-6-15)16-13-17(21-14-16)7-9-19(10-8-17)11-12-20/h2-6,16,20H,7-14H2,1H3
InChIKeyNDJVPKGCXAMKIS-UHFFFAOYSA-N
XLogP1.74
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol 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 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol?
The IUPAC name of 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol (CID 110131131) is 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol.
What is the SMILES notation for 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol?
The canonical SMILES for 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol is CN(c1ccccc1)C1COC2(CCN(CCO)CC2)C1.
What is the InChIKey of 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol?
The InChIKey is NDJVPKGCXAMKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18(15-5-3-2-4-6-15)16-13-17(21-14-16)7-9-19(10-8-17)11-12-20/h2-6,16,20H,7-14H2,1H3.
What are the key properties of 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol?
2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol has a molecular weight of 290.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanol is sourced from PubChem (CID 110131131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).