2-amino-2-(hydroxymethyl)-N-methyl-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide

C19H21F3N2O3 — CID 22421221

IUPAC2-amino-2-(hydroxymethyl)-N-methyl-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide
SMILESCNC(=O)C(N)(CO)Cc1ccc(OCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O3/c1-24-17(26)18(23,12-25)10-13-6-8-15(9-7-13)27-11-14-4-2-3-5-16(14)19(20,21)22/h2-9,25H,10-12,23H2,1H3,(H,24,26)
InChIKeyZYNSNYOLNZAFSA-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.26
Rot. Bonds7

About 2-amino-2-(hydroxymethyl)-N-methyl-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide

2-amino-2-(hydroxymethyl)-N-methyl-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide (PubChem CID 22421221) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)-N-methyl-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)-N-methyl-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide
PubChem CID22421221
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name2-amino-2-(hydroxymethyl)-N-methyl-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide
SMILESCNC(=O)C(N)(CO)Cc1ccc(OCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O3/c1-24-17(26)18(23,12-25)10-13-6-8-15(9-7-13)27-11-14-4-2-3-5-16(14)19(20,21)22/h2-9,25H,10-12,23H2,1H3,(H,24,26)
InChIKeyZYNSNYOLNZAFSA-UHFFFAOYSA-N
XLogP2.26
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-methyl-2-[[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide
CID 70093065
4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine
CID 69306733
ethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate
CID 11974616
[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate
CID 175149197
3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile
CID 150029896
[6-[[2-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol
CID 68755731
ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
CID 30011094
[2-(trifluoromethyl)phenyl]methyl 2,2-dimethylpropanoate
CID 102335909
N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 47064047
2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide
CID 22421197
4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3304613
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)-N-methyl-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide?
The IUPAC name of 2-amino-2-(hydroxymethyl)-N-methyl-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide (CID 22421221) is 2-amino-2-(hydroxymethyl)-N-methyl-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)-N-methyl-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide?
The canonical SMILES for 2-amino-2-(hydroxymethyl)-N-methyl-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide is CNC(=O)C(N)(CO)Cc1ccc(OCc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-amino-2-(hydroxymethyl)-N-methyl-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide?
The InChIKey is ZYNSNYOLNZAFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-24-17(26)18(23,12-25)10-13-6-8-15(9-7-13)27-11-14-4-2-3-5-16(14)19(20,21)22/h2-9,25H,10-12,23H2,1H3,(H,24,26).
What are the key properties of 2-amino-2-(hydroxymethyl)-N-methyl-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide?
2-amino-2-(hydroxymethyl)-N-methyl-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide has a molecular weight of 382.38 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)-N-methyl-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide is sourced from PubChem (CID 22421221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).