N-[(5S,9S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]furan-2-carboxamide

C20H23FN2O3 — CID 124780748

IUPACN-[(5S,9S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]furan-2-carboxamide
SMILESO=C(N[C@H]1CCO[C@@]2(CCN(Cc3cccc(F)c3)C2)C1)c1ccco1
InChIInChI=1S/C20H23FN2O3/c21-16-4-1-3-15(11-16)13-23-8-7-20(14-23)12-17(6-10-26-20)22-19(24)18-5-2-9-25-18/h1-5,9,11,17H,6-8,10,12-14H2,(H,22,24)/t17-,20-/m0/s1
InChIKeyRHNGSBLFQQNQNE-PXNSSMCTSA-N
MW358.41 g/mol
LogP2.97
Rot. Bonds4

About N-[(5S,9S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]furan-2-carboxamide

N-[(5S,9S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]furan-2-carboxamide (PubChem CID 124780748) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[(5S,9S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(5S,9S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]furan-2-carboxamide
PubChem CID124780748
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-[(5S,9S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]furan-2-carboxamide
SMILESO=C(N[C@H]1CCO[C@@]2(CCN(Cc3cccc(F)c3)C2)C1)c1ccco1
InChIInChI=1S/C20H23FN2O3/c21-16-4-1-3-15(11-16)13-23-8-7-20(14-23)12-17(6-10-26-20)22-19(24)18-5-2-9-25-18/h1-5,9,11,17H,6-8,10,12-14H2,(H,22,24)/t17-,20-/m0/s1
InChIKeyRHNGSBLFQQNQNE-PXNSSMCTSA-N
XLogP2.97
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5R,9R)-2-[(3-methoxyphenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
CID 155873123
N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 97476036
N-[(5S,9S)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide
CID 124822025
1-methyl-N-[(5S,9S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide
CID 124820308
N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide
CID 115563926
N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide
CID 124780353
N-[(5R,9R)-2-(furan-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155854554
1,1-dimethyl-3-[(5R,9S)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]urea
CID 97476683
(3S,5S)-N-(3-fluorophenyl)-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97370963
2-[[(3R,5R)-7-[(3-fluorophenyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]-N,N-dimethylacetamide
CID 97394293
N-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 97477674
N-[(5R,9S)-2-(thiophen-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 97476031

Frequently Asked Questions

What is the IUPAC name of N-[(5S,9S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]furan-2-carboxamide?
The IUPAC name of N-[(5S,9S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]furan-2-carboxamide (CID 124780748) is N-[(5S,9S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(5S,9S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]furan-2-carboxamide?
The canonical SMILES for N-[(5S,9S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]furan-2-carboxamide is O=C(N[C@H]1CCO[C@@]2(CCN(Cc3cccc(F)c3)C2)C1)c1ccco1.
What is the InChIKey of N-[(5S,9S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]furan-2-carboxamide?
The InChIKey is RHNGSBLFQQNQNE-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-16-4-1-3-15(11-16)13-23-8-7-20(14-23)12-17(6-10-26-20)22-19(24)18-5-2-9-25-18/h1-5,9,11,17H,6-8,10,12-14H2,(H,22,24)/t17-,20-/m0/s1.
What are the key properties of N-[(5S,9S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]furan-2-carboxamide?
N-[(5S,9S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]furan-2-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,9S)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]furan-2-carboxamide is sourced from PubChem (CID 124780748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).