2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide

C25H28F3NO2 — CID 60571941

IUPAC2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide
SMILESO=C(Cc1ccc2c(c1)CCCC2)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C25H28F3NO2/c26-25(27,28)22-7-3-6-21(16-22)24(10-12-31-13-11-24)17-29-23(30)15-18-8-9-19-4-1-2-5-20(19)14-18/h3,6-9,14,16H,1-2,4-5,10-13,15,17H2,(H,29,30)
InChIKeyKPQXYDRBTIFFGI-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.99
Rot. Bonds5

About 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide

2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide (PubChem CID 60571941) has the molecular formula C25H28F3NO2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide
PubChem CID60571941
Molecular FormulaC25H28F3NO2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide
SMILESO=C(Cc1ccc2c(c1)CCCC2)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C25H28F3NO2/c26-25(27,28)22-7-3-6-21(16-22)24(10-12-31-13-11-24)17-29-23(30)15-18-8-9-19-4-1-2-5-20(19)14-18/h3,6-9,14,16H,1-2,4-5,10-13,15,17H2,(H,29,30)
InChIKeyKPQXYDRBTIFFGI-UHFFFAOYSA-N
XLogP4.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide
CID 2900568
(E)-3-naphthalen-2-yl-N-[[4-(4-phenylphenyl)oxan-4-yl]methyl]prop-2-enamide
CID 44526973
N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 27448775
N-[(4-phenyloxan-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 27448797
2-Naphthalen-1-yl-1-[4-[[4-(oxan-4-ylmethylamino)butylamino]methyl]piperidin-1-yl]ethanone
CID 44322966
N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 47007027
N-[(4-Phenyloxan-4-YL)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806730
2-phenyl-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 808616
2-(naphthalen-1-yl)-N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)acetamide
CID 1082217
N-(1-Methoxy-2-phenylethyl)-1,3,4,10a-tetrahydro-4a(2H)-phenanthrenecarboxamide
CID 494914
2-(4-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 2234488
N-{[4-(4-fluorophenyl)oxan-4-yl]methyl}cyclohexanecarboxamide
CID 27450029

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide (CID 60571941) is 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide is O=C(Cc1ccc2c(c1)CCCC2)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide?
The InChIKey is KPQXYDRBTIFFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3NO2/c26-25(27,28)22-7-3-6-21(16-22)24(10-12-31-13-11-24)17-29-23(30)15-18-8-9-19-4-1-2-5-20(19)14-18/h3,6-9,14,16H,1-2,4-5,10-13,15,17H2,(H,29,30).
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide?
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide has a molecular weight of 431.50 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide is sourced from PubChem (CID 60571941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).