N-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide

C11H24N2O2S — CID 103088362

IUPACN-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide
SMILESCOCCNC(=O)CCNCCCCSC
InChIInChI=1S/C11H24N2O2S/c1-15-9-8-13-11(14)5-7-12-6-3-4-10-16-2/h12H,3-10H2,1-2H3,(H,13,14)
InChIKeyWJYHVLMKFDAYJY-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.87
Rot. Bonds11

About N-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide

N-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide (PubChem CID 103088362) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide
PubChem CID103088362
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide
SMILESCOCCNC(=O)CCNCCCCSC
InChIInChI=1S/C11H24N2O2S/c1-15-9-8-13-11(14)5-7-12-6-3-4-10-16-2/h12H,3-10H2,1-2H3,(H,13,14)
InChIKeyWJYHVLMKFDAYJY-UHFFFAOYSA-N
XLogP0.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.87
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

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CID 79282456
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CID 113410009
N-(3-methoxypropyl)-3-(propylamino)propanamide
CID 109011484
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
3-(6-methoxyhexylamino)-N-methylpropanamide
CID 143379158
1-(2-methoxyethyl)-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111626781
tert-butyl 3-(4-methylsulfanylbutylamino)propanoate
CID 103264069
N-(2-methoxyethyl)-4-(methylamino)butanamide
CID 60841118
N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide (CID 103088362) is N-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide is COCCNC(=O)CCNCCCCSC.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide?
The InChIKey is WJYHVLMKFDAYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-15-9-8-13-11(14)5-7-12-6-3-4-10-16-2/h12H,3-10H2,1-2H3,(H,13,14).
What are the key properties of N-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide?
N-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide has a molecular weight of 248.39 g/mol, XLogP of 0.87, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide is sourced from PubChem (CID 103088362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).