3-cyclopentyl-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]propanamide

C25H30F3NO2 — CID 67188587

IUPAC3-cyclopentyl-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(O)c1ccccc1)N(C)C(=O)C(CC1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H30F3NO2/c1-17(23(30)19-11-4-3-5-12-19)29(2)24(31)22(15-18-9-6-7-10-18)20-13-8-14-21(16-20)25(26,27)28/h3-5,8,11-14,16-18,22-23,30H,6-7,9-10,15H2,1-2H3
InChIKeyKBQJREDKRQCSHC-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.95
Rot. Bonds7

About 3-cyclopentyl-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]propanamide

3-cyclopentyl-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 67188587) has the molecular formula C25H30F3NO2 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-cyclopentyl-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID67188587
Molecular FormulaC25H30F3NO2
Molecular Weight433.51 g/mol
Exact Mass433.22
IUPAC Name3-cyclopentyl-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(O)c1ccccc1)N(C)C(=O)C(CC1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H30F3NO2/c1-17(23(30)19-11-4-3-5-12-19)29(2)24(31)22(15-18-9-6-7-10-18)20-13-8-14-21(16-20)25(26,27)28/h3-5,8,11-14,16-18,22-23,30H,6-7,9-10,15H2,1-2H3
InChIKeyKBQJREDKRQCSHC-UHFFFAOYSA-N
XLogP5.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-[(3R)-8,8-dimethyl-6,10-dioxaspiro[4.5]decan-3-yl]-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
CID 67187930
2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 82085380
3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243219
(2S)-2-(1,3-benzodioxol-5-yl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpent-4-enamide
CID 100985395
N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63450355
2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 60997313
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
CID 118867302
(2R)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
CID 118867301
1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one
CID 70513343
2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
cyclobutyl-[3-(trifluoromethyl)phenyl]methanol
CID 64986539

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]propanamide (CID 67188587) is 3-cyclopentyl-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]propanamide is CC(C(O)c1ccccc1)N(C)C(=O)C(CC1CCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-cyclopentyl-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is KBQJREDKRQCSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3NO2/c1-17(23(30)19-11-4-3-5-12-19)29(2)24(31)22(15-18-9-6-7-10-18)20-13-8-14-21(16-20)25(26,27)28/h3-5,8,11-14,16-18,22-23,30H,6-7,9-10,15H2,1-2H3.
What are the key properties of 3-cyclopentyl-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]propanamide?
3-cyclopentyl-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 433.51 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 67188587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).