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

C19H21F3N2O3 — CID 10738662

IUPAC(2S)-3-hydroxy-N-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide
SMILESCNC(=O)[C@H](CO)NCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H21F3N2O3/c1-23-18(26)17(11-25)24-10-13-5-7-16(8-6-13)27-12-14-3-2-4-15(9-14)19(20,21)22/h2-9,17,24-25H,10-12H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyHVVWXGAQWWPINN-KRWDZBQOSA-N
MW382.38 g/mol
LogP2.48
Rot. Bonds8

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

(2S)-3-hydroxy-N-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide (PubChem CID 10738662) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is (2S)-3-hydroxy-N-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-N-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide
PubChem CID10738662
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name(2S)-3-hydroxy-N-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide
SMILESCNC(=O)[C@H](CO)NCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H21F3N2O3/c1-23-18(26)17(11-25)24-10-13-5-7-16(8-6-13)27-12-14-3-2-4-15(9-14)19(20,21)22/h2-9,17,24-25H,10-12H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyHVVWXGAQWWPINN-KRWDZBQOSA-N
XLogP2.48
TPSA70.59 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 ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide;hydrochloride
CID 119773685
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10193260
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol
CID 15059584
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide
CID 166625545
methyl 3-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 43405710
(3S)-N-methyl-1-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-3-carboxamide
CID 176929976
N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine
CID 79782023
(2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one
CID 59967532
2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride
CID 119773689
prop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
CID 141148449

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-N-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide?
The IUPAC name of (2S)-3-hydroxy-N-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide (CID 10738662) is (2S)-3-hydroxy-N-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide.
What is the SMILES notation for (2S)-3-hydroxy-N-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide?
The canonical SMILES for (2S)-3-hydroxy-N-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide is CNC(=O)[C@H](CO)NCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of (2S)-3-hydroxy-N-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide?
The InChIKey is HVVWXGAQWWPINN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-23-18(26)17(11-25)24-10-13-5-7-16(8-6-13)27-12-14-3-2-4-15(9-14)19(20,21)22/h2-9,17,24-25H,10-12H2,1H3,(H,23,26)/t17-/m0/s1.
What are the key properties of (2S)-3-hydroxy-N-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide?
(2S)-3-hydroxy-N-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide has a molecular weight of 382.38 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-N-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]propanamide is sourced from PubChem (CID 10738662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).