(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide

C19H23FN2O2 — CID 119340597

IUPAC(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide
SMILESCCC(CNC(=O)[C@@H](N)Cc1ccccc1)Oc1ccccc1F
InChIInChI=1S/C19H23FN2O2/c1-2-15(24-18-11-7-6-10-16(18)20)13-22-19(23)17(21)12-14-8-4-3-5-9-14/h3-11,15,17H,2,12-13,21H2,1H3,(H,22,23)/t15?,17-/m0/s1
InChIKeyNAIDJWDVJAPNLI-LWKPJOBUSA-N
MW330.40 g/mol
LogP2.67
Rot. Bonds8

About (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide

(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide (PubChem CID 119340597) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide
PubChem CID119340597
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide
SMILESCCC(CNC(=O)[C@@H](N)Cc1ccccc1)Oc1ccccc1F
InChIInChI=1S/C19H23FN2O2/c1-2-15(24-18-11-7-6-10-16(18)20)13-22-19(23)17(21)12-14-8-4-3-5-9-14/h3-11,15,17H,2,12-13,21H2,1H3,(H,22,23)/t15?,17-/m0/s1
InChIKeyNAIDJWDVJAPNLI-LWKPJOBUSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride
CID 119340588
2-amino-N-[2-(2-fluorophenoxy)butyl]acetamide;hydrochloride
CID 119340592
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121
(2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119335772
(2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
CID 119335617
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
N-[2-(2-fluorophenoxy)butyl]-4-(methylamino)butanamide;hydrochloride
CID 119813320
(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride
CID 119327618
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804898
(2R)-2-amino-N-(2-hydroxypentyl)-3-phenylpropanamide
CID 103796801

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide (CID 119340597) is (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide is CCC(CNC(=O)[C@@H](N)Cc1ccccc1)Oc1ccccc1F.
What is the InChIKey of (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide?
The InChIKey is NAIDJWDVJAPNLI-LWKPJOBUSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-2-15(24-18-11-7-6-10-16(18)20)13-22-19(23)17(21)12-14-8-4-3-5-9-14/h3-11,15,17H,2,12-13,21H2,1H3,(H,22,23)/t15?,17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide?
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide has a molecular weight of 330.40 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide is sourced from PubChem (CID 119340597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).