3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide

C15H21F3N2O2 — CID 111912610

IUPAC3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(O)CCN(C)CCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O2/c1-11(21)6-8-20(2)9-7-14(22)19-13-5-3-4-12(10-13)15(16,17)18/h3-5,10-11,21H,6-9H2,1-2H3,(H,19,22)
InChIKeyRMKPVKOOBAECJM-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.74
Rot. Bonds7

About 3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide

3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 111912610) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID111912610
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(O)CCN(C)CCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O2/c1-11(21)6-8-20(2)9-7-14(22)19-13-5-3-4-12(10-13)15(16,17)18/h3-5,10-11,21H,6-9H2,1-2H3,(H,19,22)
InChIKeyRMKPVKOOBAECJM-UHFFFAOYSA-N
XLogP2.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109030749
3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113136185
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
2-[acetyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113158239
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
CID 12857135
3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113135449
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113123127
2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2315099
CID 89006052
CID 89006052
N-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666921

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide (CID 111912610) is 3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide is CC(O)CCN(C)CCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is RMKPVKOOBAECJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-11(21)6-8-20(2)9-7-14(22)19-13-5-3-4-12(10-13)15(16,17)18/h3-5,10-11,21H,6-9H2,1-2H3,(H,19,22).
What are the key properties of 3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 318.34 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 111912610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).