2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide

C30H29F3N2O4 — CID 171681534

IUPAC2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide
SMILESCc1ccccc1OCC(=O)NC1CC12CCN(C(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)CC2
InChIInChI=1S/C30H29F3N2O4/c1-20-4-2-3-5-25(20)38-19-27(36)34-26-18-29(26)14-16-35(17-15-29)28(37)21-6-10-23(11-7-21)39-24-12-8-22(9-13-24)30(31,32)33/h2-13,26H,14-19H2,1H3,(H,34,36)
InChIKeyOBSXAHCRNHMNFI-UHFFFAOYSA-N
MW538.57 g/mol
LogP6.00
Rot. Bonds7

About 2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide

2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide (PubChem CID 171681534) has the molecular formula C30H29F3N2O4 and a molecular weight of 538.57 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide
PubChem CID171681534
Molecular FormulaC30H29F3N2O4
Molecular Weight538.57 g/mol
Exact Mass538.21
IUPAC Name2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide
SMILESCc1ccccc1OCC(=O)NC1CC12CCN(C(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)CC2
InChIInChI=1S/C30H29F3N2O4/c1-20-4-2-3-5-25(20)38-19-27(36)34-26-18-29(26)14-16-35(17-15-29)28(37)21-6-10-23(11-7-21)39-24-12-8-22(9-13-24)30(31,32)33/h2-13,26H,14-19H2,1H3,(H,34,36)
InChIKeyOBSXAHCRNHMNFI-UHFFFAOYSA-N
XLogP6.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.57
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide with MolForge

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Related Compounds

2-oxo-2-phenyl-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide
CID 171698481
N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 8696577
2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108552674
2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108551120
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110366126
2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 139247581
[4-[4-[[2-(2-ethoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108930343
2-(2-phenylphenoxy)-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 46423310
4-(difluoromethoxy)-2-fluoro-N-[6-(4-phenoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]benzamide
CID 171685278
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556694
2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26732852
2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108553127

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide (CID 171681534) is 2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide is Cc1ccccc1OCC(=O)NC1CC12CCN(C(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)CC2.
What is the InChIKey of 2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide?
The InChIKey is OBSXAHCRNHMNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N2O4/c1-20-4-2-3-5-25(20)38-19-27(36)34-26-18-29(26)14-16-35(17-15-29)28(37)21-6-10-23(11-7-21)39-24-12-8-22(9-13-24)30(31,32)33/h2-13,26H,14-19H2,1H3,(H,34,36).
What are the key properties of 2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide?
2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide has a molecular weight of 538.57 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide is sourced from PubChem (CID 171681534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).