(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride

C19H25ClN2O3 — CID 119290472

IUPAC(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride
SMILESCOc1ccc(OC(C)CNC(=O)[C@@H](N)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-14(24-17-10-8-16(23-2)9-11-17)13-21-19(22)18(20)12-15-6-4-3-5-7-15;/h3-11,14,18H,12-13,20H2,1-2H3,(H,21,22);1H/t14?,18-;/m0./s1
InChIKeyVIROZKLXWSWSFM-XYGCWZSBSA-N
MW364.87 g/mol
LogP2.57
Rot. Bonds8

About (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119290472) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride
PubChem CID119290472
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride
SMILESCOc1ccc(OC(C)CNC(=O)[C@@H](N)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-14(24-17-10-8-16(23-2)9-11-17)13-21-19(22)18(20)12-15-6-4-3-5-7-15;/h3-11,14,18H,12-13,20H2,1-2H3,(H,21,22);1H/t14?,18-;/m0./s1
InChIKeyVIROZKLXWSWSFM-XYGCWZSBSA-N
XLogP2.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide
CID 119335528
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119336981
2-amino-N-[2-(4-methoxyphenoxy)propyl]-2-phenylacetamide;hydrochloride
CID 119290481
(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
(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
(2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride
CID 119298178
(2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide
CID 78985598
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide
CID 119725363

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride (CID 119290472) is (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride is COc1ccc(OC(C)CNC(=O)[C@@H](N)Cc2ccccc2)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is VIROZKLXWSWSFM-XYGCWZSBSA-N. The full InChI is InChI=1S/C19H24N2O3.ClH/c1-14(24-17-10-8-16(23-2)9-11-17)13-21-19(22)18(20)12-15-6-4-3-5-7-15;/h3-11,14,18H,12-13,20H2,1-2H3,(H,21,22);1H/t14?,18-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 364.87 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119290472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).