N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide

C16H22F3NO2 — CID 111543235

IUPACN-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(Cc1cccc(C(F)(F)F)c1)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C16H22F3NO2/c1-11(14(21)20(4)10-15(2,3)22)8-12-6-5-7-13(9-12)16(17,18)19/h5-7,9,11,22H,8,10H2,1-4H3
InChIKeyHMVPESGSKKZPSQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.11
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide

N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 111543235) has the molecular formula C16H22F3NO2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID111543235
Molecular FormulaC16H22F3NO2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(Cc1cccc(C(F)(F)F)c1)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C16H22F3NO2/c1-11(14(21)20(4)10-15(2,3)22)8-12-6-5-7-13(9-12)16(17,18)19/h5-7,9,11,22H,8,10H2,1-4H3
InChIKeyHMVPESGSKKZPSQ-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid
CID 119191026
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
2-methyl-2-[[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid
CID 119187474
2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 55034943
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 79377939
2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 154975964
N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 111479963
N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron
CID 175261981
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119737530

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide (CID 111543235) is N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide is CC(Cc1cccc(C(F)(F)F)c1)C(=O)N(C)CC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HMVPESGSKKZPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO2/c1-11(14(21)20(4)10-15(2,3)22)8-12-6-5-7-13(9-12)16(17,18)19/h5-7,9,11,22H,8,10H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide?
N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 317.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 111543235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).