2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide

C13H16F3NO3 — CID 138015020

IUPAC2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide
SMILESCOc1cccc(C(C)C(=O)NC(CO)C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3/c1-8(9-4-3-5-10(6-9)20-2)12(19)17-11(7-18)13(14,15)16/h3-6,8,11,18H,7H2,1-2H3,(H,17,19)
InChIKeyCQOJHHHEDZGAPE-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.84
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide

2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide (PubChem CID 138015020) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide
PubChem CID138015020
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide
SMILESCOc1cccc(C(C)C(=O)NC(CO)C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3/c1-8(9-4-3-5-10(6-9)20-2)12(19)17-11(7-18)13(14,15)16/h3-6,8,11,18H,7H2,1-2H3,(H,17,19)
InChIKeyCQOJHHHEDZGAPE-UHFFFAOYSA-N
XLogP1.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[bis(2-methoxyphenyl)methyl]-2-(3-methoxyphenyl)propanamide
CID 175077075
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide
CID 119606161
N-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide
CID 138015024
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
CID 119606160
(E)-2-[2-(3-methoxyphenyl)propanoylamino]hex-4-enoic acid
CID 120692826
2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 81373961
N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
CID 119665599
(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
(2R)-2-(3-methoxyphenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 97313994
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79203822
7-[2-(3-methoxyphenyl)propanoylamino]heptanoic acid
CID 119350863
(3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol
CID 171239633

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide (CID 138015020) is 2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide is COc1cccc(C(C)C(=O)NC(CO)C(F)(F)F)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide?
The InChIKey is CQOJHHHEDZGAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-8(9-4-3-5-10(6-9)20-2)12(19)17-11(7-18)13(14,15)16/h3-6,8,11,18H,7H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide?
2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide has a molecular weight of 291.27 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide is sourced from PubChem (CID 138015020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).