2-[3-(2-methylphenoxy)propyl]-6-oxa-2,9-diazaspiro[4.5]decane

C17H26N2O2 — CID 136560998

IUPAC2-[3-(2-methylphenoxy)propyl]-6-oxa-2,9-diazaspiro[4.5]decane
SMILESCc1ccccc1OCCCN1CCC2(CNCCO2)C1
InChIInChI=1S/C17H26N2O2/c1-15-5-2-3-6-16(15)20-11-4-9-19-10-7-17(14-19)13-18-8-12-21-17/h2-3,5-6,18H,4,7-14H2,1H3
InChIKeyCDQYFDZRRJNVFS-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.83
Rot. Bonds5

About 2-[3-(2-methylphenoxy)propyl]-6-oxa-2,9-diazaspiro[4.5]decane

2-[3-(2-methylphenoxy)propyl]-6-oxa-2,9-diazaspiro[4.5]decane (PubChem CID 136560998) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[3-(2-methylphenoxy)propyl]-6-oxa-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[3-(2-methylphenoxy)propyl]-6-oxa-2,9-diazaspiro[4.5]decane
PubChem CID136560998
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[3-(2-methylphenoxy)propyl]-6-oxa-2,9-diazaspiro[4.5]decane
SMILESCc1ccccc1OCCCN1CCC2(CNCCO2)C1
InChIInChI=1S/C17H26N2O2/c1-15-5-2-3-6-16(15)20-11-4-9-19-10-7-17(14-19)13-18-8-12-21-17/h2-3,5-6,18H,4,7-14H2,1H3
InChIKeyCDQYFDZRRJNVFS-UHFFFAOYSA-N
XLogP1.83
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-(2-methylphenoxy)propyl]-6-oxa-2,9-diazaspiro[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 2-[3-(2-methylphenoxy)propyl]-6-oxa-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-[3-(2-methylphenoxy)propyl]-6-oxa-2,9-diazaspiro[4.5]decane (CID 136560998) is 2-[3-(2-methylphenoxy)propyl]-6-oxa-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[3-(2-methylphenoxy)propyl]-6-oxa-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-[3-(2-methylphenoxy)propyl]-6-oxa-2,9-diazaspiro[4.5]decane is Cc1ccccc1OCCCN1CCC2(CNCCO2)C1.
What is the InChIKey of 2-[3-(2-methylphenoxy)propyl]-6-oxa-2,9-diazaspiro[4.5]decane?
The InChIKey is CDQYFDZRRJNVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-15-5-2-3-6-16(15)20-11-4-9-19-10-7-17(14-19)13-18-8-12-21-17/h2-3,5-6,18H,4,7-14H2,1H3.
What are the key properties of 2-[3-(2-methylphenoxy)propyl]-6-oxa-2,9-diazaspiro[4.5]decane?
2-[3-(2-methylphenoxy)propyl]-6-oxa-2,9-diazaspiro[4.5]decane has a molecular weight of 290.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenoxy)propyl]-6-oxa-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 136560998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).