(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide

C18H21FN2O2 — CID 119274352

IUPAC(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C18H21FN2O2/c1-21(11-12-23-16-9-7-15(19)8-10-16)18(22)17(20)13-14-5-3-2-4-6-14/h2-10,17H,11-13,20H2,1H3/t17-/m0/s1
InChIKeyYHLKACUEXSQRAE-KRWDZBQOSA-N
MW316.38 g/mol
LogP2.23
Rot. Bonds7

About (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide

(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide (PubChem CID 119274352) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
PubChem CID119274352
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C18H21FN2O2/c1-21(11-12-23-16-9-7-15(19)8-10-16)18(22)17(20)13-14-5-3-2-4-6-14/h2-10,17H,11-13,20H2,1H3/t17-/m0/s1
InChIKeyYHLKACUEXSQRAE-KRWDZBQOSA-N
XLogP2.23
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
CID 119274381
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831117
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide
CID 119956183
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride
CID 119695322
phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate
CID 60676113
methyl 4-[(2-amino-3-phenylpropanoyl)-methylamino]butanoate
CID 60947770
(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide
CID 103797277
(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 79024598
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 28802517
2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 43211990

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide (CID 119274352) is (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide is CN(CCOc1ccc(F)cc1)C(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide?
The InChIKey is YHLKACUEXSQRAE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-21(11-12-23-16-9-7-15(19)8-10-16)18(22)17(20)13-14-5-3-2-4-6-14/h2-10,17H,11-13,20H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide?
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide has a molecular weight of 316.38 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 119274352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).