(2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride

C19H25ClN2O2 — CID 119335772

IUPAC(2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride
SMILESCc1ccccc1OC(C)CNC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-14-8-6-7-11-18(14)23-15(2)13-21-19(22)17(20)12-16-9-4-3-5-10-16;/h3-11,15,17H,12-13,20H2,1-2H3,(H,21,22);1H/t15?,17-;/m0./s1
InChIKeyDSJXAZJDOGHCSB-RAOUYDSVSA-N
MW348.87 g/mol
LogP2.87
Rot. Bonds7

About (2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119335772) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride
PubChem CID119335772
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name(2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride
SMILESCc1ccccc1OC(C)CNC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-14-8-6-7-11-18(14)23-15(2)13-21-19(22)17(20)12-16-9-4-3-5-10-16;/h3-11,15,17H,12-13,20H2,1-2H3,(H,21,22);1H/t15?,17-;/m0./s1
InChIKeyDSJXAZJDOGHCSB-RAOUYDSVSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
CID 119335617
(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119290472
2-amino-N-[2-(2-methylphenoxy)propyl]-2-phenylacetamide
CID 119335783
(2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119335774
(2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide
CID 119335528
2-methyl-3-(methylamino)-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804994
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119336981
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119335768
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride (CID 119335772) is (2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride is Cc1ccccc1OC(C)CNC(=O)[C@@H](N)Cc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is DSJXAZJDOGHCSB-RAOUYDSVSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-14-8-6-7-11-18(14)23-15(2)13-21-19(22)17(20)12-16-9-4-3-5-10-16;/h3-11,15,17H,12-13,20H2,1-2H3,(H,21,22);1H/t15?,17-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 2.87, 7 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-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119335772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).