(2S)-2-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]propanamide;hydrochloride

C15H25ClN2O3 — CID 119341269

IUPAC(2S)-2-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]propanamide;hydrochloride
SMILESCOCCOCCN(Cc1ccccc1)C(=O)[C@H](C)N.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-13(16)15(18)17(8-9-20-11-10-19-2)12-14-6-4-3-5-7-14;/h3-7,13H,8-12,16H2,1-2H3;1H/t13-;/m0./s1
InChIKeyOHQADXILJITLRV-ZOWNYOTGSA-N
MW316.83 g/mol
LogP1.45
Rot. Bonds9

About (2S)-2-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]propanamide;hydrochloride

(2S)-2-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]propanamide;hydrochloride (PubChem CID 119341269) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is (2S)-2-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]propanamide;hydrochloride
PubChem CID119341269
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC Name(2S)-2-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]propanamide;hydrochloride
SMILESCOCCOCCN(Cc1ccccc1)C(=O)[C@H](C)N.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-13(16)15(18)17(8-9-20-11-10-19-2)12-14-6-4-3-5-7-14;/h3-7,13H,8-12,16H2,1-2H3;1H/t13-;/m0./s1
InChIKeyOHQADXILJITLRV-ZOWNYOTGSA-N
XLogP1.45
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
(2S)-2-amino-N-benzyl-N-(2-methoxyethyl)pentanamide
CID 93367288
N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide
CID 103515233
2-amino-N-benzyl-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide
CID 115286511
3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 119814507
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
N-(2-aminoethyl)-N-benzyl-2-(2-methoxyethoxy)acetamide
CID 104859530
(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride
CID 119305505
methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate
CID 76625736
2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide
CID 62474789
(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 61164685
methyl 3-[[(2R)-2-aminopropanoyl]-(pyridin-4-ylmethyl)amino]propanoate;hydrochloride
CID 120873027

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]propanamide;hydrochloride (CID 119341269) is (2S)-2-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]propanamide;hydrochloride is COCCOCCN(Cc1ccccc1)C(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]propanamide;hydrochloride?
The InChIKey is OHQADXILJITLRV-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H24N2O3.ClH/c1-13(16)15(18)17(8-9-20-11-10-19-2)12-14-6-4-3-5-7-14;/h3-7,13H,8-12,16H2,1-2H3;1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]propanamide;hydrochloride?
(2S)-2-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]propanamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119341269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).