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

C20H29FN2O4 — CID 91918125

IUPACN-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCOCCOC1CCOC2(CCN(C(=O)NCc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H29FN2O4/c1-25-12-13-26-18-6-11-27-20(14-18)7-9-23(10-8-20)19(24)22-15-16-2-4-17(21)5-3-16/h2-5,18H,6-15H2,1H3,(H,22,24)
InChIKeyJVLABALIAKALGV-UHFFFAOYSA-N
MW380.46 g/mol
LogP2.71
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 91918125) has the molecular formula C20H29FN2O4 and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID91918125
Molecular FormulaC20H29FN2O4
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCOCCOC1CCOC2(CCN(C(=O)NCc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H29FN2O4/c1-25-12-13-26-18-6-11-27-20(14-18)7-9-23(10-8-20)19(24)22-15-16-2-4-17(21)5-3-16/h2-5,18H,6-15H2,1H3,(H,22,24)
InChIKeyJVLABALIAKALGV-UHFFFAOYSA-N
XLogP2.71
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 52.71
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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Related Compounds

N-(2-fluorophenyl)-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91918131
N-cyclopentyl-4-[cyclopropyl(4-fluorobenzyl)amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919148
4-methoxy-N-phenethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91907692
N-(4-fluorobenzyl)-4-((2-methoxyethoxy)methyl)piperidine-1-carboxamide
CID 49677822
(3R*,4R*)-N-(2-fluorobenzyl)-4-hydroxy-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-1-piperidinecarboxamide
CID 72846157
N-(4-fluorobenzyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91907686
4-(2-Ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 91907793
4-[Benzyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91908259
4-(N-Cyclopropylacetamido)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91909245
4-{1-Cyclopropyl[(propan-2-YL)carbamoyl]amino}-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91909286
4-[(1-Benzyl-4-piperidyl)oxy]-N~1~-(3-fluorobenzyl)tetrahydro-1(2H)-pyridinecarboxamide
CID 91916461
4-[(1-Benzyl-4-piperidyl)oxy]-N~1~-(4-fluorobenzyl)tetrahydro-1(2H)-pyridinecarboxamide
CID 91916466

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 91918125) is N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is COCCOC1CCOC2(CCN(C(=O)NCc3ccc(F)cc3)CC2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is JVLABALIAKALGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O4/c1-25-12-13-26-18-6-11-27-20(14-18)7-9-23(10-8-20)19(24)22-15-16-2-4-17(21)5-3-16/h2-5,18H,6-15H2,1H3,(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 91918125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).