(1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide

C18H28N2O4 — CID 129430027

IUPAC(1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCCO[C@@H]1C[C@@H](O)C12CCN(C(=O)N[C@H](C)c1ccc(C)o1)CC2
InChIInChI=1S/C18H28N2O4/c1-4-23-16-11-15(21)18(16)7-9-20(10-8-18)17(22)19-13(3)14-6-5-12(2)24-14/h5-6,13,15-16,21H,4,7-11H2,1-3H3,(H,19,22)/t13-,15-,16-/m1/s1
InChIKeyCNMOGFBXAIYJQG-FVQBIDKESA-N
MW336.43 g/mol
LogP2.61
Rot. Bonds4

About (1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide

(1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 129430027) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is (1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name(1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide
PubChem CID129430027
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name(1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCCO[C@@H]1C[C@@H](O)C12CCN(C(=O)N[C@H](C)c1ccc(C)o1)CC2
InChIInChI=1S/C18H28N2O4/c1-4-23-16-11-15(21)18(16)7-9-20(10-8-18)17(22)19-13(3)14-6-5-12(2)24-14/h5-6,13,15-16,21H,4,7-11H2,1-3H3,(H,19,22)/t13-,15-,16-/m1/s1
InChIKeyCNMOGFBXAIYJQG-FVQBIDKESA-N
XLogP2.61
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 99698152
4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 115583197
3-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]spiro[3.3]heptan-1-amine
CID 65295193
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
CID 111456794
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-methylfuran-2-yl)methanone
CID 97100801
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97216206
(1S,3S)-N-(3,5-difluorophenyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 97100791
(1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide
CID 99608200
4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 95134239
4-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 120563308
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 115583196
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanone
CID 97216074

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of (1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide (CID 129430027) is (1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for (1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for (1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide is CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)N[C@H](C)c1ccc(C)o1)CC2.
What is the InChIKey of (1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is CNMOGFBXAIYJQG-FVQBIDKESA-N. The full InChI is InChI=1S/C18H28N2O4/c1-4-23-16-11-15(21)18(16)7-9-20(10-8-18)17(22)19-13(3)14-6-5-12(2)24-14/h5-6,13,15-16,21H,4,7-11H2,1-3H3,(H,19,22)/t13-,15-,16-/m1/s1.
What are the key properties of (1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide?
(1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 129430027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).