(1S,3S)-N-(3,5-difluorophenyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide

C17H22F2N2O3 — CID 97100791

IUPAC(1S,3S)-N-(3,5-difluorophenyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCCO[C@H]1C[C@H](O)C12CCN(C(=O)Nc1cc(F)cc(F)c1)CC2
InChIInChI=1S/C17H22F2N2O3/c1-2-24-15-10-14(22)17(15)3-5-21(6-4-17)16(23)20-13-8-11(18)7-12(19)9-13/h7-9,14-15,22H,2-6,10H2,1H3,(H,20,23)/t14-,15-/m0/s1
InChIKeyPANJGNBFZLUUCO-GJZGRUSLSA-N
MW340.37 g/mol
LogP2.75
Rot. Bonds3

About (1S,3S)-N-(3,5-difluorophenyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide

(1S,3S)-N-(3,5-difluorophenyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 97100791) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is (1S,3S)-N-(3,5-difluorophenyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name(1S,3S)-N-(3,5-difluorophenyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
PubChem CID97100791
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Name(1S,3S)-N-(3,5-difluorophenyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCCO[C@H]1C[C@H](O)C12CCN(C(=O)Nc1cc(F)cc(F)c1)CC2
InChIInChI=1S/C17H22F2N2O3/c1-2-24-15-10-14(22)17(15)3-5-21(6-4-17)16(23)20-13-8-11(18)7-12(19)9-13/h7-9,14-15,22H,2-6,10H2,1H3,(H,20,23)/t14-,15-/m0/s1
InChIKeyPANJGNBFZLUUCO-GJZGRUSLSA-N
XLogP2.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 99698152
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone
CID 111456864
(1S,3R)-3-ethoxy-1-hydroxy-N-[(1-methylsulfanylcyclopropyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide
CID 124628327
3-(2,4-difluorophenyl)-1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 133123141
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 111456860
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97216206
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
CID 111456794
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(5-methyl-3-pyridinyl)methanone
CID 111470335
6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione
CID 72937772
(E)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-ethylbut-2-en-1-one
CID 124744176
1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 111457366
(1-aminocyclopentyl)-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119364

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-N-(3,5-difluorophenyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of (1S,3S)-N-(3,5-difluorophenyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide (CID 97100791) is (1S,3S)-N-(3,5-difluorophenyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for (1S,3S)-N-(3,5-difluorophenyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for (1S,3S)-N-(3,5-difluorophenyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide is CCO[C@H]1C[C@H](O)C12CCN(C(=O)Nc1cc(F)cc(F)c1)CC2.
What is the InChIKey of (1S,3S)-N-(3,5-difluorophenyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is PANJGNBFZLUUCO-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c1-2-24-15-10-14(22)17(15)3-5-21(6-4-17)16(23)20-13-8-11(18)7-12(19)9-13/h7-9,14-15,22H,2-6,10H2,1H3,(H,20,23)/t14-,15-/m0/s1.
What are the key properties of (1S,3S)-N-(3,5-difluorophenyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
(1S,3S)-N-(3,5-difluorophenyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-N-(3,5-difluorophenyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 97100791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).