N-(2-fluorophenyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C19H27FN2O4 — CID 91918131

IUPACN-(2-fluorophenyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCOCCOC1CCOC2(CCN(C(=O)Nc3ccccc3F)CC2)C1
InChIInChI=1S/C19H27FN2O4/c1-24-12-13-25-15-6-11-26-19(14-15)7-9-22(10-8-19)18(23)21-17-5-3-2-4-16(17)20/h2-5,15H,6-14H2,1H3,(H,21,23)
InChIKeyAQORLKDOZPNHIX-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.03
Rot. Bonds5

About N-(2-fluorophenyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

N-(2-fluorophenyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 91918131) has the molecular formula C19H27FN2O4 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID91918131
Molecular FormulaC19H27FN2O4
Molecular Weight366.43 g/mol
Exact Mass366.20
IUPAC NameN-(2-fluorophenyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCOCCOC1CCOC2(CCN(C(=O)Nc3ccccc3F)CC2)C1
InChIInChI=1S/C19H27FN2O4/c1-24-12-13-25-15-6-11-26-19(14-15)7-9-22(10-8-19)18(23)21-17-5-3-2-4-16(17)20/h2-5,15H,6-14H2,1H3,(H,21,23)
InChIKeyAQORLKDOZPNHIX-UHFFFAOYSA-N
XLogP3.03
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 91918131) is N-(2-fluorophenyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is COCCOC1CCOC2(CCN(C(=O)Nc3ccccc3F)CC2)C1.
What is the InChIKey of N-(2-fluorophenyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is AQORLKDOZPNHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O4/c1-24-12-13-25-15-6-11-26-19(14-15)7-9-22(10-8-19)18(23)21-17-5-3-2-4-16(17)20/h2-5,15H,6-14H2,1H3,(H,21,23).
What are the key properties of N-(2-fluorophenyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
N-(2-fluorophenyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 91918131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).