3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide

C19H21F3N2O3 — CID 119950634

IUPAC3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide
SMILESNC(CC(=O)NCC(O)COc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H21F3N2O3/c20-19(21,22)14-7-4-8-16(9-14)27-12-15(25)11-24-18(26)10-17(23)13-5-2-1-3-6-13/h1-9,15,17,25H,10-12,23H2,(H,24,26)
InChIKeyCVXLRUYBWXDAEZ-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.65
Rot. Bonds8

About 3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide

3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide (PubChem CID 119950634) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide
PubChem CID119950634
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide
SMILESNC(CC(=O)NCC(O)COc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H21F3N2O3/c20-19(21,22)14-7-4-8-16(9-14)27-12-15(25)11-24-18(26)10-17(23)13-5-2-1-3-6-13/h1-9,15,17,25H,10-12,23H2,(H,24,26)
InChIKeyCVXLRUYBWXDAEZ-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide;hydrochloride
CID 119304969
1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 164622114
3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride
CID 120609837
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methylbutanamide;hydrochloride
CID 119304985
1-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide
CID 119751647
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea
CID 22282753
2-[(2-chlorophenyl)methoxy]-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide
CID 47932543
3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 47932930
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide
CID 47932845
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride
CID 119751688

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide (CID 119950634) is 3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide is NC(CC(=O)NCC(O)COc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide?
The InChIKey is CVXLRUYBWXDAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c20-19(21,22)14-7-4-8-16(9-14)27-12-15(25)11-24-18(26)10-17(23)13-5-2-1-3-6-13/h1-9,15,17,25H,10-12,23H2,(H,24,26).
What are the key properties of 3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide?
3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide has a molecular weight of 382.38 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide is sourced from PubChem (CID 119950634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).