6-benzyl-4-(3-phenylmethoxypropyl)-1-oxa-6-azaspiro[2.5]octane

C23H29NO2 — CID 88931063

IUPAC6-benzyl-4-(3-phenylmethoxypropyl)-1-oxa-6-azaspiro[2.5]octane
SMILESc1ccc(COCCCC2CN(Cc3ccccc3)CCC23CO3)cc1
InChIInChI=1S/C23H29NO2/c1-3-8-20(9-4-1)16-24-14-13-23(19-26-23)22(17-24)12-7-15-25-18-21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2
InChIKeyZKSDMMJKGFETQH-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.27
Rot. Bonds8

About 6-benzyl-4-(3-phenylmethoxypropyl)-1-oxa-6-azaspiro[2.5]octane

6-benzyl-4-(3-phenylmethoxypropyl)-1-oxa-6-azaspiro[2.5]octane (PubChem CID 88931063) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 6-benzyl-4-(3-phenylmethoxypropyl)-1-oxa-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name6-benzyl-4-(3-phenylmethoxypropyl)-1-oxa-6-azaspiro[2.5]octane
PubChem CID88931063
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name6-benzyl-4-(3-phenylmethoxypropyl)-1-oxa-6-azaspiro[2.5]octane
SMILESc1ccc(COCCCC2CN(Cc3ccccc3)CCC23CO3)cc1
InChIInChI=1S/C23H29NO2/c1-3-8-20(9-4-1)16-24-14-13-23(19-26-23)22(17-24)12-7-15-25-18-21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2
InChIKeyZKSDMMJKGFETQH-UHFFFAOYSA-N
XLogP4.27
TPSA25.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-(3-phenylmethoxypropyl)-1-oxa-6-azaspiro[2.5]octane?
The IUPAC name of 6-benzyl-4-(3-phenylmethoxypropyl)-1-oxa-6-azaspiro[2.5]octane (CID 88931063) is 6-benzyl-4-(3-phenylmethoxypropyl)-1-oxa-6-azaspiro[2.5]octane.
What is the SMILES notation for 6-benzyl-4-(3-phenylmethoxypropyl)-1-oxa-6-azaspiro[2.5]octane?
The canonical SMILES for 6-benzyl-4-(3-phenylmethoxypropyl)-1-oxa-6-azaspiro[2.5]octane is c1ccc(COCCCC2CN(Cc3ccccc3)CCC23CO3)cc1.
What is the InChIKey of 6-benzyl-4-(3-phenylmethoxypropyl)-1-oxa-6-azaspiro[2.5]octane?
The InChIKey is ZKSDMMJKGFETQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-3-8-20(9-4-1)16-24-14-13-23(19-26-23)22(17-24)12-7-15-25-18-21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2.
What are the key properties of 6-benzyl-4-(3-phenylmethoxypropyl)-1-oxa-6-azaspiro[2.5]octane?
6-benzyl-4-(3-phenylmethoxypropyl)-1-oxa-6-azaspiro[2.5]octane has a molecular weight of 351.49 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-(3-phenylmethoxypropyl)-1-oxa-6-azaspiro[2.5]octane is sourced from PubChem (CID 88931063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).