N-[3-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-3-(oxolan-3-yl)propanamide

C17H22F3NO3 — CID 126814716

IUPACN-[3-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-3-(oxolan-3-yl)propanamide
SMILESO=C(CCC1CCOC1)NC(CCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H22F3NO3/c18-17(19,20)14-3-1-2-13(10-14)15(6-8-22)21-16(23)5-4-12-7-9-24-11-12/h1-3,10,12,15,22H,4-9,11H2,(H,21,23)
InChIKeyQBNGFGAHZNANKX-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.06
Rot. Bonds7

About N-[3-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-3-(oxolan-3-yl)propanamide

N-[3-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-3-(oxolan-3-yl)propanamide (PubChem CID 126814716) has the molecular formula C17H22F3NO3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[3-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-3-(oxolan-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-3-(oxolan-3-yl)propanamide
PubChem CID126814716
Molecular FormulaC17H22F3NO3
Molecular Weight345.36 g/mol
Exact Mass345.16
IUPAC NameN-[3-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-3-(oxolan-3-yl)propanamide
SMILESO=C(CCC1CCOC1)NC(CCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H22F3NO3/c18-17(19,20)14-3-1-2-13(10-14)15(6-8-22)21-16(23)5-4-12-7-9-24-11-12/h1-3,10,12,15,22H,4-9,11H2,(H,21,23)
InChIKeyQBNGFGAHZNANKX-UHFFFAOYSA-N
XLogP3.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 103986937
N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 103987462
N-benzhydryl-3-(oxan-4-yl)propanamide
CID 84577345
(2R)-2-[3-(oxolan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 119367062
N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide
CID 119528776
2-[3-(oxolan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 120580724
4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 52523148
(3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide
CID 96521769
3-(oxan-4-yl)-N-(1-phenylethyl)propanamide
CID 84578473
N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-3-[(3S)-oxolan-3-yl]propanamide
CID 99631822
1-[[(3R)-oxolan-3-yl]methyl]-3-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 95339702
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 94118050

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-3-(oxolan-3-yl)propanamide?
The IUPAC name of N-[3-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-3-(oxolan-3-yl)propanamide (CID 126814716) is N-[3-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-3-(oxolan-3-yl)propanamide.
What is the SMILES notation for N-[3-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-3-(oxolan-3-yl)propanamide?
The canonical SMILES for N-[3-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-3-(oxolan-3-yl)propanamide is O=C(CCC1CCOC1)NC(CCO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-3-(oxolan-3-yl)propanamide?
The InChIKey is QBNGFGAHZNANKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO3/c18-17(19,20)14-3-1-2-13(10-14)15(6-8-22)21-16(23)5-4-12-7-9-24-11-12/h1-3,10,12,15,22H,4-9,11H2,(H,21,23).
What are the key properties of N-[3-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-3-(oxolan-3-yl)propanamide?
N-[3-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-3-(oxolan-3-yl)propanamide has a molecular weight of 345.36 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-3-(oxolan-3-yl)propanamide is sourced from PubChem (CID 126814716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).