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

C18H25FN2O3 — CID 91907686

IUPACN-[(4-fluorophenyl)methyl]-4-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCOC1CCOC2(CCN(C(=O)NCc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H25FN2O3/c1-23-16-6-11-24-18(12-16)7-9-21(10-8-18)17(22)20-13-14-2-4-15(19)5-3-14/h2-5,16H,6-13H2,1H3,(H,20,22)
InChIKeyKVRGYZOMWDXLKY-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.70
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-4-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 91907686) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID91907686
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCOC1CCOC2(CCN(C(=O)NCc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H25FN2O3/c1-23-16-6-11-24-18(12-16)7-9-21(10-8-18)17(22)20-13-14-2-4-15(19)5-3-14/h2-5,16H,6-13H2,1H3,(H,20,22)
InChIKeyKVRGYZOMWDXLKY-UHFFFAOYSA-N
XLogP2.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-[(3-Fluorophenyl)methyl]-3-methyl-3-[(4-methyloxan-4-YL)methyl]urea
CID 71686940
(3R*,4R*)-N-(2-fluorobenzyl)-4-hydroxy-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-1-piperidinecarboxamide
CID 72846157
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
1-[(3-Fluorophenyl)methyl]-3-methyl-3-[(oxan-4-YL)methyl]urea
CID 91914985
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-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 91907686) is N-[(4-fluorophenyl)methyl]-4-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is COC1CCOC2(CCN(C(=O)NCc3ccc(F)cc3)CC2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is KVRGYZOMWDXLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-23-16-6-11-24-18(12-16)7-9-21(10-8-18)17(22)20-13-14-2-4-15(19)5-3-14/h2-5,16H,6-13H2,1H3,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
N-[(4-fluorophenyl)methyl]-4-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 91907686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).