(2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide

C19H23FN2O3 — CID 54327325

IUPAC(2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide
SMILESCN(C)C(=O)[C@H](CO)NCc1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C19H23FN2O3/c1-22(2)19(24)18(12-23)21-11-14-7-9-16(10-8-14)25-13-15-5-3-4-6-17(15)20/h3-10,18,21,23H,11-13H2,1-2H3/t18-/m0/s1
InChIKeySVWIJKYDLCVAOD-SFHVURJKSA-N
MW346.40 g/mol
LogP1.94
Rot. Bonds8

About (2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide

(2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide (PubChem CID 54327325) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is (2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide
PubChem CID54327325
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name(2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide
SMILESCN(C)C(=O)[C@H](CO)NCc1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C19H23FN2O3/c1-22(2)19(24)18(12-23)21-11-14-7-9-16(10-8-14)25-13-15-5-3-4-6-17(15)20/h3-10,18,21,23H,11-13H2,1-2H3/t18-/m0/s1
InChIKeySVWIJKYDLCVAOD-SFHVURJKSA-N
XLogP1.94
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10064347
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide;hydrochloride
CID 67125309
3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122010216
bis((2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide);methanesulfonic acid;hydrate
CID 54596588
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 146264146
ethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate
CID 170885350
2-[[4-[(2-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxy-N-methylpropanamide
CID 141192167
2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 20991735
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126127256
(2S)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-methylsulfanylbutanoic acid
CID 99124287
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126121051
3-methyl-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylamino]butanoic acid
CID 66528504

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide (CID 54327325) is (2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide is CN(C)C(=O)[C@H](CO)NCc1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of (2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide?
The InChIKey is SVWIJKYDLCVAOD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-22(2)19(24)18(12-23)21-11-14-7-9-16(10-8-14)25-13-15-5-3-4-6-17(15)20/h3-10,18,21,23H,11-13H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide?
(2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide has a molecular weight of 346.40 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide is sourced from PubChem (CID 54327325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).