(2R)-N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide

C20H27F3N2O3 — CID 142324962

IUPAC(2R)-N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide
SMILESCOc1cccc([C@@](O)(C(=O)N(C)CC2CC3(CCNCC3)C2)C(F)(F)F)c1
InChIInChI=1S/C20H27F3N2O3/c1-25(13-14-11-18(12-14)6-8-24-9-7-18)17(26)19(27,20(21,22)23)15-4-3-5-16(10-15)28-2/h3-5,10,14,24,27H,6-9,11-13H2,1-2H3/t19-/m1/s1
InChIKeyXJPMPUMNALTFKJ-LJQANCHMSA-N
MW400.44 g/mol
LogP2.68
Rot. Bonds5

About (2R)-N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide

(2R)-N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide (PubChem CID 142324962) has the molecular formula C20H27F3N2O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is (2R)-N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide
PubChem CID142324962
Molecular FormulaC20H27F3N2O3
Molecular Weight400.44 g/mol
Exact Mass400.20
IUPAC Name(2R)-N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide
SMILESCOc1cccc([C@@](O)(C(=O)N(C)CC2CC3(CCNCC3)C2)C(F)(F)F)c1
InChIInChI=1S/C20H27F3N2O3/c1-25(13-14-11-18(12-14)6-8-24-9-7-18)17(26)19(27,20(21,22)23)15-4-3-5-16(10-15)28-2/h3-5,10,14,24,27H,6-9,11-13H2,1-2H3/t19-/m1/s1
InChIKeyXJPMPUMNALTFKJ-LJQANCHMSA-N
XLogP2.68
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methyl-N-[3-(piperidin-4-ylmethyl)cyclobutyl]propanamide
CID 134439251
N-[2-(7-azaspiro[3.5]nonan-2-yl)ethyl]-3,3,3-trifluoro-2-(3-methoxyphenyl)-N-methylpropanamide;ethane
CID 142324905
N-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide
CID 134439236
(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide
CID 142321476
2-chloro-N-methyl-6-[2-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]ethyl]-6-azaspiro[2.5]octan-6-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 153319341
2-chloro-4-[(2R)-2-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]ethyl]-6-azaspiro[2.5]octan-6-yl]-N-propan-2-ylbenzamide
CID 146316259
2-chloro-N,N-dimethyl-4-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]benzamide
CID 142321397
N,N,2-trimethyl-6-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
CID 142321308
2-chloro-N-methyl-4-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]-N-propan-2-ylbenzamide
CID 142321282
2-chloro-6-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
CID 142321480
2-chloro-6-[4-[3-[methyl-[3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
CID 134437249
2-chloro-N-cyclopropyl-N-methyl-6-[3-[2-[methyl-[3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide
CID 146350227

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of (2R)-N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide (CID 142324962) is (2R)-N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for (2R)-N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for (2R)-N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide is COc1cccc([C@@](O)(C(=O)N(C)CC2CC3(CCNCC3)C2)C(F)(F)F)c1.
What is the InChIKey of (2R)-N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide?
The InChIKey is XJPMPUMNALTFKJ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27F3N2O3/c1-25(13-14-11-18(12-14)6-8-24-9-7-18)17(26)19(27,20(21,22)23)15-4-3-5-16(10-15)28-2/h3-5,10,14,24,27H,6-9,11-13H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide?
(2R)-N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide has a molecular weight of 400.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 142324962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).