(2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride

C15H25ClN2O2 — CID 119308000

IUPAC(2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride
SMILESCOCCCCCNC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-19-11-7-3-6-10-17-15(18)14(16)12-13-8-4-2-5-9-13;/h2,4-5,8-9,14H,3,6-7,10-12,16H2,1H3,(H,17,18);1H/t14-;/m0./s1
InChIKeyHTFDGDHKNOMIRI-UQKRIMTDSA-N
MW300.83 g/mol
LogP1.91
Rot. Bonds9

About (2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119308000) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride
PubChem CID119308000
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name(2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride
SMILESCOCCCCCNC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-19-11-7-3-6-10-17-15(18)14(16)12-13-8-4-2-5-9-13;/h2,4-5,8-9,14H,3,6-7,10-12,16H2,1H3,(H,17,18);1H/t14-;/m0./s1
InChIKeyHTFDGDHKNOMIRI-UQKRIMTDSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide
CID 103796033
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide
CID 103796209
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
CID 134824441
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119274169
(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103795836
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide
CID 81433070
(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide
CID 106247480
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride (CID 119308000) is (2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride is COCCCCCNC(=O)[C@@H](N)Cc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is HTFDGDHKNOMIRI-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-19-11-7-3-6-10-17-15(18)14(16)12-13-8-4-2-5-9-13;/h2,4-5,8-9,14H,3,6-7,10-12,16H2,1H3,(H,17,18);1H/t14-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119308000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).