2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide

C25H24F3NO3 — CID 60571880

IUPAC2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C25H24F3NO3/c26-25(27,28)21-7-3-6-20(15-21)24(10-12-31-13-11-24)17-29-23(30)16-32-22-9-8-18-4-1-2-5-19(18)14-22/h1-9,14-15H,10-13,16-17H2,(H,29,30)
InChIKeyDZDZVSWDDWUBNU-UHFFFAOYSA-N
MW443.47 g/mol
LogP5.10
Rot. Bonds6

About 2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide

2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide (PubChem CID 60571880) has the molecular formula C25H24F3NO3 and a molecular weight of 443.47 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide
PubChem CID60571880
Molecular FormulaC25H24F3NO3
Molecular Weight443.47 g/mol
Exact Mass443.17
IUPAC Name2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C25H24F3NO3/c26-25(27,28)21-7-3-6-20(15-21)24(10-12-31-13-11-24)17-29-23(30)16-32-22-9-8-18-4-1-2-5-19(18)14-22/h1-9,14-15H,10-13,16-17H2,(H,29,30)
InChIKeyDZDZVSWDDWUBNU-UHFFFAOYSA-N
XLogP5.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 56765194
4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide
CID 120590246
N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 129397645
2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide
CID 90523286
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55849523
1-[(1S)-1-cyclopropylethyl]-3-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]urea
CID 94656629
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 51125078
2,4-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 56798727
N-[(4-phenyloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806730
N-[(1-hydroxycyclobutyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 111445201
N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-6-azaspiro[3.4]octane-6-carboxamide
CID 126780903
2-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 48579909

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide (CID 60571880) is 2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide is O=C(COc1ccc2ccccc2c1)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide?
The InChIKey is DZDZVSWDDWUBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3NO3/c26-25(27,28)21-7-3-6-20(15-21)24(10-12-31-13-11-24)17-29-23(30)16-32-22-9-8-18-4-1-2-5-19(18)14-22/h1-9,14-15H,10-13,16-17H2,(H,29,30).
What are the key properties of 2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide?
2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide has a molecular weight of 443.47 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide is sourced from PubChem (CID 60571880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).