3-hydroxy-2-methyl-2-[[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide

C19H21F3N2O3 — CID 70093065

IUPAC3-hydroxy-2-methyl-2-[[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide
SMILESCC(CO)(NCc1ccc(OCc2ccccc2C(F)(F)F)cc1)C(N)=O
InChIInChI=1S/C19H21F3N2O3/c1-18(12-25,17(23)26)24-10-13-6-8-15(9-7-13)27-11-14-4-2-3-5-16(14)19(20,21)22/h2-9,24-25H,10-12H2,1H3,(H2,23,26)
InChIKeyASDOGCKJAXHLKA-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.61
Rot. Bonds8

About 3-hydroxy-2-methyl-2-[[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide

3-hydroxy-2-methyl-2-[[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide (PubChem CID 70093065) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-2-[[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-2-[[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide
PubChem CID70093065
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name3-hydroxy-2-methyl-2-[[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide
SMILESCC(CO)(NCc1ccc(OCc2ccccc2C(F)(F)F)cc1)C(N)=O
InChIInChI=1S/C19H21F3N2O3/c1-18(12-25,17(23)26)24-10-13-6-8-15(9-7-13)27-11-14-4-2-3-5-16(14)19(20,21)22/h2-9,24-25H,10-12H2,1H3,(H2,23,26)
InChIKeyASDOGCKJAXHLKA-UHFFFAOYSA-N
XLogP2.61
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-2-[[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide?
The IUPAC name of 3-hydroxy-2-methyl-2-[[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide (CID 70093065) is 3-hydroxy-2-methyl-2-[[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide.
What is the SMILES notation for 3-hydroxy-2-methyl-2-[[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide?
The canonical SMILES for 3-hydroxy-2-methyl-2-[[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide is CC(CO)(NCc1ccc(OCc2ccccc2C(F)(F)F)cc1)C(N)=O.
What is the InChIKey of 3-hydroxy-2-methyl-2-[[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide?
The InChIKey is ASDOGCKJAXHLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-18(12-25,17(23)26)24-10-13-6-8-15(9-7-13)27-11-14-4-2-3-5-16(14)19(20,21)22/h2-9,24-25H,10-12H2,1H3,(H2,23,26).
What are the key properties of 3-hydroxy-2-methyl-2-[[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide?
3-hydroxy-2-methyl-2-[[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide has a molecular weight of 382.38 g/mol, XLogP of 2.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-2-[[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide is sourced from PubChem (CID 70093065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).