2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide;molecular hydrogen

C17H36N2O3S2 — CID 169266815

IUPAC2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide;molecular hydrogen
SMILESCNCCSSC(OCCOCC(=O)NCC#CC(C)C)C(C)C.[H][H].[H][H]
InChIInChI=1S/C17H32N2O3S2.2H2/c1-14(2)7-6-8-19-16(20)13-21-10-11-22-17(15(3)4)24-23-12-9-18-5;;/h14-15,17-18H,8-13H2,1-5H3,(H,19,20);2*1H
InChIKeyWUVZOXVWEKQXNC-UHFFFAOYSA-N
MW380.62 g/mol
LogP2.87
Rot. Bonds13

About 2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide;molecular hydrogen

2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide;molecular hydrogen (PubChem CID 169266815) has the molecular formula C17H36N2O3S2 and a molecular weight of 380.62 g/mol. Its IUPAC name is 2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide;molecular hydrogen
PubChem CID169266815
Molecular FormulaC17H36N2O3S2
Molecular Weight380.62 g/mol
Exact Mass380.22
IUPAC Name2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide;molecular hydrogen
SMILESCNCCSSC(OCCOCC(=O)NCC#CC(C)C)C(C)C.[H][H].[H][H]
InChIInChI=1S/C17H32N2O3S2.2H2/c1-14(2)7-6-8-19-16(20)13-21-10-11-22-17(15(3)4)24-23-12-9-18-5;;/h14-15,17-18H,8-13H2,1-5H3,(H,19,20);2*1H
InChIKeyWUVZOXVWEKQXNC-UHFFFAOYSA-N
XLogP2.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.62
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide
CID 169266816
3-[2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]ethoxy]-N-(4-methylpent-2-ynyl)propanamide
CID 167053736
N-(4-methylpent-2-ynyl)-3-[2-[2-[2-methyl-1-[2-(propan-2-ylamino)ethyldisulfanyl]propoxy]ethoxy]ethoxy]propanamide;molecular hydrogen
CID 163281743
N-(4-methylpent-2-ynyl)-2-[2-[1-[2-(propan-2-ylamino)ethyldisulfanyl]propoxy]ethoxy]acetamide
CID 162478707
2-[2-[1-(methyldisulfanyl)propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide
CID 169267178
4-methyl-N-[3-[2-[1-[2-(methylamino)ethyldisulfanyl]ethylamino]ethoxy]prop-1-en-2-yl]pent-2-yn-1-amine
CID 166830903
3-[2-[2-[2-methyl-1-[2-(propan-2-ylamino)ethyldisulfanyl]propoxy]ethoxy]ethoxy]-N-pent-2-ynylpropanamide
CID 169266997
N-(4-methylpent-2-ynyl)-3-[2-[2-[[2-methyl-1-[2-(propan-2-ylamino)ethyldisulfanyl]propyl]amino]ethoxy]ethoxy]propanamide;molecular hydrogen
CID 163281715
2-methyl-N-[[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]propan-2-yldisulfanyl]methyl]propanamide;molecular hydrogen
CID 166551905
3-[(2S)-2-(tert-butyldisulfanyl)-2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxy]ethoxy]-N-[2-(methylamino)ethyl]benzamide
CID 155242850
2-methyl-N-[2-[2-[2-(4-methylpent-2-ynylamino)-2-oxoethoxy]ethoxymethyldisulfanyl]propan-2-yl]propanamide
CID 166562560
2-[2-[1-[[4-(3-methylbutyl)phenyl]disulfanyl]-2-trimethylsilylpropoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide
CID 174095385

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide;molecular hydrogen?
The IUPAC name of 2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide;molecular hydrogen (CID 169266815) is 2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide;molecular hydrogen.
What is the SMILES notation for 2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide;molecular hydrogen?
The canonical SMILES for 2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide;molecular hydrogen is CNCCSSC(OCCOCC(=O)NCC#CC(C)C)C(C)C.[H][H].[H][H].
What is the InChIKey of 2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide;molecular hydrogen?
The InChIKey is WUVZOXVWEKQXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3S2.2H2/c1-14(2)7-6-8-19-16(20)13-21-10-11-22-17(15(3)4)24-23-12-9-18-5;;/h14-15,17-18H,8-13H2,1-5H3,(H,19,20);2*1H.
What are the key properties of 2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide;molecular hydrogen?
2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide;molecular hydrogen has a molecular weight of 380.62 g/mol, XLogP of 2.87, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methyl-1-[2-(methylamino)ethyldisulfanyl]propoxy]ethoxy]-N-(4-methylpent-2-ynyl)acetamide;molecular hydrogen is sourced from PubChem (CID 169266815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).