2-(2-methoxyethylamino)-N-(3-methylsulfanylpropyl)acetamide

C9H20N2O2S — CID 79282456

IUPAC2-(2-methoxyethylamino)-N-(3-methylsulfanylpropyl)acetamide
SMILESCOCCNCC(=O)NCCCSC
InChIInChI=1S/C9H20N2O2S/c1-13-6-5-10-8-9(12)11-4-3-7-14-2/h10H,3-8H2,1-2H3,(H,11,12)
InChIKeyDQYMVHGNLBNHRI-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.09
Rot. Bonds9

About 2-(2-methoxyethylamino)-N-(3-methylsulfanylpropyl)acetamide

2-(2-methoxyethylamino)-N-(3-methylsulfanylpropyl)acetamide (PubChem CID 79282456) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-(3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-(3-methylsulfanylpropyl)acetamide
PubChem CID79282456
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-(2-methoxyethylamino)-N-(3-methylsulfanylpropyl)acetamide
SMILESCOCCNCC(=O)NCCCSC
InChIInChI=1S/C9H20N2O2S/c1-13-6-5-10-8-9(12)11-4-3-7-14-2/h10H,3-8H2,1-2H3,(H,11,12)
InChIKeyDQYMVHGNLBNHRI-UHFFFAOYSA-N
XLogP0.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
N-[3-(dimethylamino)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119827417
2-(2-methoxyethylamino)-N-(4-methylpentyl)acetamide;hydrochloride
CID 119718684
N-ethyl-2-(2-methoxyethylamino)acetamide
CID 28565523
N-(cyanomethyl)-2-(3-methylsulfanylpropylamino)acetamide
CID 63964920
N-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide
CID 103088362
2-(butylamino)-N-(2-methoxyethyl)acetamide
CID 54815346
2-(2-hydroxyethylamino)-N-(3-methoxypropyl)acetamide
CID 60647414
2-(2-ethoxyethylamino)-N-(3-methoxypropyl)acetamide
CID 61486039
2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride
CID 119727737
N-(2-methoxyethyl)-2-(nonylamino)acetamide
CID 115574845
2-(hexylamino)-N-(2-methoxyethyl)acetamide
CID 60649576

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-(3-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-(3-methylsulfanylpropyl)acetamide (CID 79282456) is 2-(2-methoxyethylamino)-N-(3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-(3-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-(3-methylsulfanylpropyl)acetamide is COCCNCC(=O)NCCCSC.
What is the InChIKey of 2-(2-methoxyethylamino)-N-(3-methylsulfanylpropyl)acetamide?
The InChIKey is DQYMVHGNLBNHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-13-6-5-10-8-9(12)11-4-3-7-14-2/h10H,3-8H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-methoxyethylamino)-N-(3-methylsulfanylpropyl)acetamide?
2-(2-methoxyethylamino)-N-(3-methylsulfanylpropyl)acetamide has a molecular weight of 220.34 g/mol, XLogP of 0.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-(3-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 79282456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).