N-(2-methoxyethyl)acetamide;N-[2-(methylamino)ethyl]acetamide;N-(2-methylsulfonylethyl)acetamide;propane

C18H42N4O6S — CID 142083460

IUPACN-(2-methoxyethyl)acetamide;N-[2-(methylamino)ethyl]acetamide;N-(2-methylsulfonylethyl)acetamide;propane
SMILESCCC.CC(=O)NCCNC.CC(=O)NCCOC.CC(=O)NCCS(=O)(=O)C
InChIInChI=1S/C5H12N2O.C5H11NO3S.C5H11NO2.C3H8/c1-5(8)7-4-3-6-2;1-5(7)6-3-4-10(2,8)9;1-5(7)6-3-4-8-2;1-3-2/h6H,3-4H2,1-2H3,(H,7,8);3-4H2,1-2H3,(H,6,7);3-4H2,1-2H3,(H,6,7);3H2,1-2H3
InChIKeyATGJKWATQLNLCT-UHFFFAOYSA-N
MW442.60 g/mol
LogP—
Rot. Bonds9

About N-(2-methoxyethyl)acetamide;N-[2-(methylamino)ethyl]acetamide;N-(2-methylsulfonylethyl)acetamide;propane

N-(2-methoxyethyl)acetamide;N-[2-(methylamino)ethyl]acetamide;N-(2-methylsulfonylethyl)acetamide;propane (PubChem CID 142083460) has the molecular formula C18H42N4O6S and a molecular weight of 442.60 g/mol. Its IUPAC name is N-(2-methoxyethyl)acetamide;N-[2-(methylamino)ethyl]acetamide;N-(2-methylsulfonylethyl)acetamide;propane.

Molecular Properties

Compound NameN-(2-methoxyethyl)acetamide;N-[2-(methylamino)ethyl]acetamide;N-(2-methylsulfonylethyl)acetamide;propane
PubChem CID142083460
Molecular FormulaC18H42N4O6S
Molecular Weight442.60 g/mol
Exact Mass442.28
IUPAC NameN-(2-methoxyethyl)acetamide;N-[2-(methylamino)ethyl]acetamide;N-(2-methylsulfonylethyl)acetamide;propane
SMILESCCC.CC(=O)NCCNC.CC(=O)NCCOC.CC(=O)NCCS(=O)(=O)C
InChIInChI=1S/C5H12N2O.C5H11NO3S.C5H11NO2.C3H8/c1-5(8)7-4-3-6-2;1-5(7)6-3-4-10(2,8)9;1-5(7)6-3-4-8-2;1-3-2/h6H,3-4H2,1-2H3,(H,7,8);3-4H2,1-2H3,(H,6,7);3-4H2,1-2H3,(H,6,7);3H2,1-2H3
InChIKeyATGJKWATQLNLCT-UHFFFAOYSA-N
XLogP—
TPSA151.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity347

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-methylacetamide;N-(2-methoxyethyl)-N-methylacetamide;N-methyl-N-[2-(methylamino)ethyl]acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide
CID 158534614
N-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide
CID 159189227
N-(1-methoxypropan-2-yl)-2-(3-methylsulfonylpropylamino)acetamide
CID 54957526
2-[3-aminopropylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 54988903
2-[4-aminobutylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 54989143
N-(3-methoxypropyl)-2-[2-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]ethylsulfonyl]ethyl-methylamino]acetamide
CID 56358029
N-(2-methoxyethyl)-2-(2-methylsulfonylethylamino)propanamide
CID 60919156
N-(2-methoxyethyl)-2-[methyl(propan-2-ylsulfonyl)amino]acetamide
CID 61361247
2-[ethylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 61361248
N-(2-methoxyethyl)-2-[methyl(propylsulfonyl)amino]acetamide
CID 61383892
N-(2-methoxyethyl)-2-(3-methylsulfonylpropylamino)acetamide
CID 61487332
N-(2-methoxyethyl)-2-(2-methylsulfonylethylamino)acetamide
CID 61487766

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)acetamide;N-[2-(methylamino)ethyl]acetamide;N-(2-methylsulfonylethyl)acetamide;propane?
The IUPAC name of N-(2-methoxyethyl)acetamide;N-[2-(methylamino)ethyl]acetamide;N-(2-methylsulfonylethyl)acetamide;propane (CID 142083460) is N-(2-methoxyethyl)acetamide;N-[2-(methylamino)ethyl]acetamide;N-(2-methylsulfonylethyl)acetamide;propane.
What is the SMILES notation for N-(2-methoxyethyl)acetamide;N-[2-(methylamino)ethyl]acetamide;N-(2-methylsulfonylethyl)acetamide;propane?
The canonical SMILES for N-(2-methoxyethyl)acetamide;N-[2-(methylamino)ethyl]acetamide;N-(2-methylsulfonylethyl)acetamide;propane is CCC.CC(=O)NCCNC.CC(=O)NCCOC.CC(=O)NCCS(=O)(=O)C.
What is the InChIKey of N-(2-methoxyethyl)acetamide;N-[2-(methylamino)ethyl]acetamide;N-(2-methylsulfonylethyl)acetamide;propane?
The InChIKey is ATGJKWATQLNLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C5H11NO3S.C5H11NO2.C3H8/c1-5(8)7-4-3-6-2;1-5(7)6-3-4-10(2,8)9;1-5(7)6-3-4-8-2;1-3-2/h6H,3-4H2,1-2H3,(H,7,8);3-4H2,1-2H3,(H,6,7);3-4H2,1-2H3,(H,6,7);3H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)acetamide;N-[2-(methylamino)ethyl]acetamide;N-(2-methylsulfonylethyl)acetamide;propane?
N-(2-methoxyethyl)acetamide;N-[2-(methylamino)ethyl]acetamide;N-(2-methylsulfonylethyl)acetamide;propane has a molecular weight of 442.60 g/mol, XLogP of not available, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)acetamide;N-[2-(methylamino)ethyl]acetamide;N-(2-methylsulfonylethyl)acetamide;propane is sourced from PubChem (CID 142083460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).