N-[[5-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pentanamide

C21H30F3NO2 — CID 143454308

IUPACN-[[5-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pentanamide
SMILESCCCCC(=O)NCC1CCC(CC)C(c2cc(C(F)(F)F)ccc2C)O1
InChIInChI=1S/C21H30F3NO2/c1-4-6-7-19(26)25-13-17-11-9-15(5-2)20(27-17)18-12-16(21(22,23)24)10-8-14(18)3/h8,10,12,15,17,20H,4-7,9,11,13H2,1-3H3,(H,25,26)
InChIKeyMNTYXHZEQJHWDH-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.57
Rot. Bonds7

About N-[[5-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pentanamide

N-[[5-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pentanamide (PubChem CID 143454308) has the molecular formula C21H30F3NO2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[[5-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pentanamide.

Molecular Properties

Compound NameN-[[5-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pentanamide
PubChem CID143454308
Molecular FormulaC21H30F3NO2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC NameN-[[5-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pentanamide
SMILESCCCCC(=O)NCC1CCC(CC)C(c2cc(C(F)(F)F)ccc2C)O1
InChIInChI=1S/C21H30F3NO2/c1-4-6-7-19(26)25-13-17-11-9-15(5-2)20(27-17)18-12-16(21(22,23)24)10-8-14(18)3/h8,10,12,15,17,20H,4-7,9,11,13H2,1-3H3,(H,25,26)
InChIKeyMNTYXHZEQJHWDH-UHFFFAOYSA-N
XLogP5.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)azepan-2-one
CID 44412225
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide
CID 2969719
Flumetramide
CID 23512
N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-2-ylphenyl)phenyl]pentanamide
CID 44348116
2-((2R,6S,E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl)-N-(4,4,4-trifluorobutyl)acetamide
CID 71451241
2-[(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 86288680
N-ethyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide
CID 84599857
N-methyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide
CID 84599861
N-[(1R,2R)-1-[(3S)-2,2-dimethylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
CID 10861242
2,2,2-trifluoro-N-[(1R,2R)-1-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 15737560
2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1S)-1-phenylbut-3-enoxy]propan-2-yl]acetamide
CID 15737566
2,2,2-trifluoro-N-[(1R,2R)-1-[(4R)-non-1-en-4-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 101946841

Frequently Asked Questions

What is the IUPAC name of N-[[5-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pentanamide?
The IUPAC name of N-[[5-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pentanamide (CID 143454308) is N-[[5-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pentanamide.
What is the SMILES notation for N-[[5-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pentanamide?
The canonical SMILES for N-[[5-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pentanamide is CCCCC(=O)NCC1CCC(CC)C(c2cc(C(F)(F)F)ccc2C)O1.
What is the InChIKey of N-[[5-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pentanamide?
The InChIKey is MNTYXHZEQJHWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F3NO2/c1-4-6-7-19(26)25-13-17-11-9-15(5-2)20(27-17)18-12-16(21(22,23)24)10-8-14(18)3/h8,10,12,15,17,20H,4-7,9,11,13H2,1-3H3,(H,25,26).
What are the key properties of N-[[5-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pentanamide?
N-[[5-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pentanamide has a molecular weight of 385.47 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pentanamide is sourced from PubChem (CID 143454308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).