1,2-dimethoxyethane;dimethoxymethane;N-ethylacetamide;N-ethylmethanesulfonamide;1-methoxybutane;1-methoxypropane;N-methylbutanamide;N-methylethanesulfonamide;N-methylpropanamide;N-methylpropane-1-sulfonamide;N-propylacetamide;N-propylmethanesulfonamide

C48H120N8O18S4 — CID 160997282

IUPAC1,2-dimethoxyethane;dimethoxymethane;N-ethylacetamide;N-ethylmethanesulfonamide;1-methoxybutane;1-methoxypropane;N-methylbutanamide;N-methylethanesulfonamide;N-methylpropanamide;N-methylpropane-1-sulfonamide;N-propylacetamide;N-propylmethanesulfonamide
SMILESCCC(=O)NC.CCCC(=O)NC.CCCCOC.CCCNC(C)=O.CCCNS(C)(=O)=O.CCCOC.CCCS(=O)(=O)NC.CCNC(C)=O.CCNS(C)(=O)=O.CCS(=O)(=O)NC.COCCOC.COCOC
InChIInChI=1S/2C5H11NO.C5H12O.2C4H11NO2S.2C4H9NO.C4H10O2.C4H10O.2C3H9NO2S.C3H8O2/c1-3-4-5(7)6-2;1-3-4-6-5(2)7;1-3-4-5-6-2;1-3-4-5-8(2,6)7;1-3-4-8(6,7)5-2;1-3-4(6)5-2;1-3-5-4(2)6;1-5-3-4-6-2;1-3-4-5-2;1-3-4-7(2,5)6;1-3-7(5,6)4-2;1-4-3-5-2/h2*3-4H2,1-2H3,(H,6,7);3-5H2,1-2H3;2*5H,3-4H2,1-2H3;2*3H2,1-2H3,(H,5,6);3-4H2,1-2H3;3-4H2,1-2H3;2*4H,3H2,1-2H3;3H2,1-2H3
InChIKeyTVKKQNGRPOABRB-UHFFFAOYSA-N
MW1225.79 g/mol
LogP3.34
Rot. Bonds26

About 1,2-dimethoxyethane;dimethoxymethane;N-ethylacetamide;N-ethylmethanesulfonamide;1-methoxybutane;1-methoxypropane;N-methylbutanamide;N-methylethanesulfonamide;N-methylpropanamide;N-methylpropane-1-sulfonamide;N-propylacetamide;N-propylmethanesulfonamide

1,2-dimethoxyethane;dimethoxymethane;N-ethylacetamide;N-ethylmethanesulfonamide;1-methoxybutane;1-methoxypropane;N-methylbutanamide;N-methylethanesulfonamide;N-methylpropanamide;N-methylpropane-1-sulfonamide;N-propylacetamide;N-propylmethanesulfonamide (PubChem CID 160997282) has the molecular formula C48H120N8O18S4 and a molecular weight of 1225.79 g/mol. Its IUPAC name is 1,2-dimethoxyethane;dimethoxymethane;N-ethylacetamide;N-ethylmethanesulfonamide;1-methoxybutane;1-methoxypropane;N-methylbutanamide;N-methylethanesulfonamide;N-methylpropanamide;N-methylpropane-1-sulfonamide;N-propylacetamide;N-propylmethanesulfonamide.

Molecular Properties

Compound Name1,2-dimethoxyethane;dimethoxymethane;N-ethylacetamide;N-ethylmethanesulfonamide;1-methoxybutane;1-methoxypropane;N-methylbutanamide;N-methylethanesulfonamide;N-methylpropanamide;N-methylpropane-1-sulfonamide;N-propylacetamide;N-propylmethanesulfonamide
PubChem CID160997282
Molecular FormulaC48H120N8O18S4
Molecular Weight1225.79 g/mol
Exact Mass1224.76
IUPAC Name1,2-dimethoxyethane;dimethoxymethane;N-ethylacetamide;N-ethylmethanesulfonamide;1-methoxybutane;1-methoxypropane;N-methylbutanamide;N-methylethanesulfonamide;N-methylpropanamide;N-methylpropane-1-sulfonamide;N-propylacetamide;N-propylmethanesulfonamide
SMILESCCC(=O)NC.CCCC(=O)NC.CCCCOC.CCCNC(C)=O.CCCNS(C)(=O)=O.CCCOC.CCCS(=O)(=O)NC.CCNC(C)=O.CCNS(C)(=O)=O.CCS(=O)(=O)NC.COCCOC.COCOC
InChIInChI=1S/2C5H11NO.C5H12O.2C4H11NO2S.2C4H9NO.C4H10O2.C4H10O.2C3H9NO2S.C3H8O2/c1-3-4-5(7)6-2;1-3-4-6-5(2)7;1-3-4-5-6-2;1-3-4-5-8(2,6)7;1-3-4-8(6,7)5-2;1-3-4(6)5-2;1-3-5-4(2)6;1-5-3-4-6-2;1-3-4-5-2;1-3-4-7(2,5)6;1-3-7(5,6)4-2;1-4-3-5-2/h2*3-4H2,1-2H3,(H,6,7);3-5H2,1-2H3;2*5H,3-4H2,1-2H3;2*3H2,1-2H3,(H,5,6);3-4H2,1-2H3;3-4H2,1-2H3;2*4H,3H2,1-2H3;3H2,1-2H3
InChIKeyTVKKQNGRPOABRB-UHFFFAOYSA-N
XLogP3.34
TPSA356.46 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001225.79
LogP ≤ 53.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 1,2-dimethoxyethane;dimethoxymethane;N-ethylacetamide;N-ethylmethanesulfonamide;1-methoxybutane;1-methoxypropane;N-methylbutanamide;N-methylethanesulfonamide;N-methylpropanamide;N-methylpropane-1-sulfonamide;N-propylacetamide;N-propylmethanesulfonamide with MolForge

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Related Compounds

N-acetylacetamide;N-acetylpropanamide;1,2-dimethoxyethane;dimethoxymethane;1-ethoxybutane;ethoxyethane;1-ethoxypropane;N-ethylacetamide;ethyl acetate;N-ethylethanamine;N-ethylethanesulfonamide;N-ethylmethanesulfonamide;N-ethylpropanamide;N-ethylpropan-1-amine;ethylsulfanylethane;1-ethylsulfanylpropane;1-ethylsulfonylethane;1-ethylsulfonylpropane;1-methoxybutane;1-methoxypentane;1-methoxypropane;N-methylbutanamide;N-methylbutan-1-amine;N-methylethanesulfonamide;methyl pentanoate;N-methylpropanamide;N-methylpropan-1-amine;N-methylpropane-1-sulfonamide;1-methylsulfanylbutane;1-methylsulfanylpropane;1-methylsulfonylbutane;1-methylsulfonylpropane;N-propylacetamide;N-propylmethanesulfonamide;propyl propanoate
CID 161475704
N-ethylmethanesulfonamide;N-methylbutanamide;N-methylhexanamide;N-methylpentanamide;N-methylpropanamide
CID 54559321
pentakis(N-methylacetamide);N-methylethanesulfonamide;bis(N-methylmethanesulfonamide);bis(N-methylpropanamide)
CID 162162754
N-(2-aminoethyl)methanesulfonamide;N-propylacetamide
CID 161235509
N-[3-(2-methoxyethylsulfonylamino)propyl]acetamide
CID 110309562
N-(4-acetamidobutyl)butanamide
CID 110417477
N-methylpropanamide;1-methylsulfonylpropane
CID 160744917
4-butoxy-4-methyl-N-propylpentanamide
CID 156884877
N-methylacetamide;N-propylacetamide
CID 160752156
butan-2-one;ethane;hexan-2-one;methane;N-methylacetamide;N-(2-propoxyethyl)acetamide;5-propoxypentan-2-one;N-propylacetamide
CID 161327625
N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide
CID 121313484
4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide
CID 71430120

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethane;dimethoxymethane;N-ethylacetamide;N-ethylmethanesulfonamide;1-methoxybutane;1-methoxypropane;N-methylbutanamide;N-methylethanesulfonamide;N-methylpropanamide;N-methylpropane-1-sulfonamide;N-propylacetamide;N-propylmethanesulfonamide?
The IUPAC name of 1,2-dimethoxyethane;dimethoxymethane;N-ethylacetamide;N-ethylmethanesulfonamide;1-methoxybutane;1-methoxypropane;N-methylbutanamide;N-methylethanesulfonamide;N-methylpropanamide;N-methylpropane-1-sulfonamide;N-propylacetamide;N-propylmethanesulfonamide (CID 160997282) is 1,2-dimethoxyethane;dimethoxymethane;N-ethylacetamide;N-ethylmethanesulfonamide;1-methoxybutane;1-methoxypropane;N-methylbutanamide;N-methylethanesulfonamide;N-methylpropanamide;N-methylpropane-1-sulfonamide;N-propylacetamide;N-propylmethanesulfonamide.
What is the SMILES notation for 1,2-dimethoxyethane;dimethoxymethane;N-ethylacetamide;N-ethylmethanesulfonamide;1-methoxybutane;1-methoxypropane;N-methylbutanamide;N-methylethanesulfonamide;N-methylpropanamide;N-methylpropane-1-sulfonamide;N-propylacetamide;N-propylmethanesulfonamide?
The canonical SMILES for 1,2-dimethoxyethane;dimethoxymethane;N-ethylacetamide;N-ethylmethanesulfonamide;1-methoxybutane;1-methoxypropane;N-methylbutanamide;N-methylethanesulfonamide;N-methylpropanamide;N-methylpropane-1-sulfonamide;N-propylacetamide;N-propylmethanesulfonamide is CCC(=O)NC.CCCC(=O)NC.CCCCOC.CCCNC(C)=O.CCCNS(C)(=O)=O.CCCOC.CCCS(=O)(=O)NC.CCNC(C)=O.CCNS(C)(=O)=O.CCS(=O)(=O)NC.COCCOC.COCOC.
What is the InChIKey of 1,2-dimethoxyethane;dimethoxymethane;N-ethylacetamide;N-ethylmethanesulfonamide;1-methoxybutane;1-methoxypropane;N-methylbutanamide;N-methylethanesulfonamide;N-methylpropanamide;N-methylpropane-1-sulfonamide;N-propylacetamide;N-propylmethanesulfonamide?
The InChIKey is TVKKQNGRPOABRB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11NO.C5H12O.2C4H11NO2S.2C4H9NO.C4H10O2.C4H10O.2C3H9NO2S.C3H8O2/c1-3-4-5(7)6-2;1-3-4-6-5(2)7;1-3-4-5-6-2;1-3-4-5-8(2,6)7;1-3-4-8(6,7)5-2;1-3-4(6)5-2;1-3-5-4(2)6;1-5-3-4-6-2;1-3-4-5-2;1-3-4-7(2,5)6;1-3-7(5,6)4-2;1-4-3-5-2/h2*3-4H2,1-2H3,(H,6,7);3-5H2,1-2H3;2*5H,3-4H2,1-2H3;2*3H2,1-2H3,(H,5,6);3-4H2,1-2H3;3-4H2,1-2H3;2*4H,3H2,1-2H3;3H2,1-2H3.
What are the key properties of 1,2-dimethoxyethane;dimethoxymethane;N-ethylacetamide;N-ethylmethanesulfonamide;1-methoxybutane;1-methoxypropane;N-methylbutanamide;N-methylethanesulfonamide;N-methylpropanamide;N-methylpropane-1-sulfonamide;N-propylacetamide;N-propylmethanesulfonamide?
1,2-dimethoxyethane;dimethoxymethane;N-ethylacetamide;N-ethylmethanesulfonamide;1-methoxybutane;1-methoxypropane;N-methylbutanamide;N-methylethanesulfonamide;N-methylpropanamide;N-methylpropane-1-sulfonamide;N-propylacetamide;N-propylmethanesulfonamide has a molecular weight of 1225.79 g/mol, XLogP of 3.34, 26 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethane;dimethoxymethane;N-ethylacetamide;N-ethylmethanesulfonamide;1-methoxybutane;1-methoxypropane;N-methylbutanamide;N-methylethanesulfonamide;N-methylpropanamide;N-methylpropane-1-sulfonamide;N-propylacetamide;N-propylmethanesulfonamide is sourced from PubChem (CID 160997282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).