(2R)-N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide

C19H25F3N2O3 — CID 124686705

IUPAC(2R)-N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]1CC12CCNCC2
InChIInChI=1S/C19H25F3N2O3/c1-24(17(26)15-10-18(15)6-8-23-9-7-18)11-13(25)12-27-16-5-3-2-4-14(16)19(20,21)22/h2-5,13,15,23,25H,6-12H2,1H3/t13-,15+/m1/s1
InChIKeyIMMRUZRHDKNDOV-HIFRSBDPSA-N
MW386.41 g/mol
LogP2.29
Rot. Bonds6

About (2R)-N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide

(2R)-N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 124686705) has the molecular formula C19H25F3N2O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID124686705
Molecular FormulaC19H25F3N2O3
Molecular Weight386.41 g/mol
Exact Mass386.18
IUPAC Name(2R)-N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]1CC12CCNCC2
InChIInChI=1S/C19H25F3N2O3/c1-24(17(26)15-10-18(15)6-8-23-9-7-18)11-13(25)12-27-16-5-3-2-4-14(16)19(20,21)22/h2-5,13,15,23,25H,6-12H2,1H3/t13-,15+/m1/s1
InChIKeyIMMRUZRHDKNDOV-HIFRSBDPSA-N
XLogP2.29
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-4-hydroxy-N-[(2S)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methylpyrrolidine-2-carboxamide
CID 124686874
N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 119299219
N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 95787037
3-cyclohexyl-1-[(2S)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-1-methylurea
CID 52502216
(2S)-2-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119741458
3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide
CID 119950359
3-[[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-methylamino]-1-methylpyrrolidin-2-one
CID 71999796
2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 119741467
(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 30121905
N-(2-indol-1-ylethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 72868306
1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 75520357
[2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid
CID 54242139

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide (CID 124686705) is (2R)-N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide is CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]1CC12CCNCC2.
What is the InChIKey of (2R)-N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is IMMRUZRHDKNDOV-HIFRSBDPSA-N. The full InChI is InChI=1S/C19H25F3N2O3/c1-24(17(26)15-10-18(15)6-8-23-9-7-18)11-13(25)12-27-16-5-3-2-4-14(16)19(20,21)22/h2-5,13,15,23,25H,6-12H2,1H3/t13-,15+/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 124686705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).