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

C157H376N16O43S13 — CID 161475704

IUPACN-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
SMILESCC(=O)NC(C)=O.CCC(=O)NC.CCC(=O)NC(C)=O.CCCC(=O)NC.CCCCC(=O)OC.CCCCCOC.CCCCNC.CCCCOC.CCCCOCC.CCCCS(C)(=O)=O.CCCCSC.CCCNC.CCCNC(C)=O.CCCNCC.CCCNS(C)(=O)=O.CCCOC.CCCOC(=O)CC.CCCOCC.CCCS(=O)(=O)CC.CCCS(=O)(=O)NC.CCCS(C)(=O)=O.CCCSC.CCCSCC.CCNC(=O)CC.CCNC(C)=O.CCNCC.CCNS(=O)(=O)CC.CCNS(C)(=O)=O.CCOC(C)=O.CCOCC.CCS(=O)(=O)CC.CCS(=O)(=O)NC.CCSCC.COCCOC.COCOC
InChIInChI=1S/2C6H12O2.2C6H14O.C5H9NO2.3C5H11NO.2C5H13N.2C5H12O2S.2C5H12O.2C5H12S.3C4H11NO2S.C4H7NO2.2C4H9NO.2C4H11N.2C4H10O2S.C4H10O2.C4H8O2.2C4H10O.2C4H10S.2C3H9NO2S.C3H8O2/c1-3-4-5-6(7)8-2;1-3-5-8-6(7)4-2;1-3-4-5-6-7-2;1-3-5-6-7-4-2;1-3-5(8)6-4(2)7;1-3-4-5(7)6-2;1-3-4-6-5(2)7;1-3-5(7)6-4-2;1-3-4-5-6-2;1-3-5-6-4-2;1-3-4-5-8(2,6)7;1-3-5-8(6,7)4-2;1-3-4-5-6-2;1-3-5-6-4-2;1-3-4-5-6-2;1-3-5-6-4-2;1-3-4-5-8(2,6)7;1-3-4-8(6,7)5-2;1-3-5-8(6,7)4-2;1-3(6)5-4(2)7;1-3-4(6)5-2;1-3-5-4(2)6;1-3-4-5-2;1-3-5-4-2;1-3-4-7(2,5)6;1-3-7(5,6)4-2;1-5-3-4-6-2;1-3-6-4(2)5;1-3-4-5-2;1-3-5-4-2;1-3-4-5-2;1-3-5-4-2;1-3-4-7(2,5)6;1-3-7(5,6)4-2;1-4-3-5-2/h2*3-5H2,1-2H3;2*3-6H2,1-2H3;3H2,1-2H3,(H,6,7,8);3*3-4H2,1-2H3,(H,6,7);2*6H,3-5H2,1-2H3;2*3-5H2,1-2H3;4*3-5H2,1-2H3;3*5H,3-4H2,1-2H3;1-2H3,(H,5,6,7);2*3H2,1-2H3,(H,5,6);2*5H,3-4H2,1-2H3;2*3-4H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3;4*3-4H2,1-2H3;2*4H,3H2,1-2H3;3H2,1-2H3
InChIKeyWDRJIMBUWZIXRR-UHFFFAOYSA-N
MW3593.67 g/mol
LogP26.55
Rot. Bonds82

About 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

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 (PubChem CID 161475704) has the molecular formula C157H376N16O43S13 and a molecular weight of 3593.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID161475704
Molecular FormulaC157H376N16O43S13
Molecular Weight3593.67 g/mol
Exact Mass3590.41
IUPAC NameN-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
SMILESCC(=O)NC(C)=O.CCC(=O)NC.CCC(=O)NC(C)=O.CCCC(=O)NC.CCCCC(=O)OC.CCCCCOC.CCCCNC.CCCCOC.CCCCOCC.CCCCS(C)(=O)=O.CCCCSC.CCCNC.CCCNC(C)=O.CCCNCC.CCCNS(C)(=O)=O.CCCOC.CCCOC(=O)CC.CCCOCC.CCCS(=O)(=O)CC.CCCS(=O)(=O)NC.CCCS(C)(=O)=O.CCCSC.CCCSCC.CCNC(=O)CC.CCNC(C)=O.CCNCC.CCNS(=O)(=O)CC.CCNS(C)(=O)=O.CCOC(C)=O.CCOCC.CCS(=O)(=O)CC.CCS(=O)(=O)NC.CCSCC.COCCOC.COCOC
InChIInChI=1S/2C6H12O2.2C6H14O.C5H9NO2.3C5H11NO.2C5H13N.2C5H12O2S.2C5H12O.2C5H12S.3C4H11NO2S.C4H7NO2.2C4H9NO.2C4H11N.2C4H10O2S.C4H10O2.C4H8O2.2C4H10O.2C4H10S.2C3H9NO2S.C3H8O2/c1-3-4-5-6(7)8-2;1-3-5-8-6(7)4-2;1-3-4-5-6-7-2;1-3-5-6-7-4-2;1-3-5(8)6-4(2)7;1-3-4-5(7)6-2;1-3-4-6-5(2)7;1-3-5(7)6-4-2;1-3-4-5-6-2;1-3-5-6-4-2;1-3-4-5-8(2,6)7;1-3-5-8(6,7)4-2;1-3-4-5-6-2;1-3-5-6-4-2;1-3-4-5-6-2;1-3-5-6-4-2;1-3-4-5-8(2,6)7;1-3-4-8(6,7)5-2;1-3-5-8(6,7)4-2;1-3(6)5-4(2)7;1-3-4(6)5-2;1-3-5-4(2)6;1-3-4-5-2;1-3-5-4-2;1-3-4-7(2,5)6;1-3-7(5,6)4-2;1-5-3-4-6-2;1-3-6-4(2)5;1-3-4-5-2;1-3-5-4-2;1-3-4-5-2;1-3-5-4-2;1-3-4-7(2,5)6;1-3-7(5,6)4-2;1-4-3-5-2/h2*3-5H2,1-2H3;2*3-6H2,1-2H3;3H2,1-2H3,(H,6,7,8);3*3-4H2,1-2H3,(H,6,7);2*6H,3-5H2,1-2H3;2*3-5H2,1-2H3;4*3-5H2,1-2H3;3*5H,3-4H2,1-2H3;1-2H3,(H,5,6,7);2*3H2,1-2H3,(H,5,6);2*5H,3-4H2,1-2H3;2*3-4H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3;4*3-4H2,1-2H3;2*4H,3H2,1-2H3;3H2,1-2H3
InChIKeyWDRJIMBUWZIXRR-UHFFFAOYSA-N
XLogP26.55
TPSA824.57 Ų
H-Bond Donors16
H-Bond Acceptors51
Rotatable Bonds82
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003593.67
LogP ≤ 526.55
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
deuterium monohydride;N,N-dimethylethanamine;ethanamine;N-ethylacetamide;ethyl acetate;N-ethylmethanesulfonamide;1-ethylsulfonylethane;methane;methoxyethane;N-methylethanamine;methyl propanoate;methylsulfanylethane;pentan-3-one
CID 159352611
ethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol
CID 166155063
N-methylpropanamide;1-methylsulfonylpropane
CID 160744917
3-[3-[1,3-bis(2-methylbutoxy)propan-2-yloxy]propylsulfanyl]-N-ethylpropanamide;1-ethoxy-2-methylbutane;N-ethyl-N'-[5-(2-methylbutoxy)pentyl]butanediamide;methyl acetate;N-[2-(2-methylbutoxy)ethyl]propanamide;1-(2-methylbutoxy)pentane;2-methylbutyl N-ethylcarbamate;methyl propanoate
CID 158039419
bis(methylsulfanyl)methane;diethyl(dimethyl)azanium;dimethoxymethane;dimethyl carbonate;N,4-dimethyl-1,3-oxazol-2-amine;N,5-dimethyl-1,3-oxazol-2-amine;N,4-dimethylpyridin-2-amine;N,4-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;1,3-dimethylurea;ethoxyethane;N-ethoxymethanamine;N-ethylethanamine;N-ethylethanimine;ethylsulfanylethane;bis(1-ethylsulfinylethane);bis(1-ethylsulfonylethane);1-methoxy-N-methylmethanamine;2-methoxy-4-methylpyridine;1-methoxypropane;methoxysulfanylethane;(methyldisulfanyl)ethane;bis(methyl N-methylcarbamate);N-methylpropanamide;methyl propanoate;N-(methylsulfamoyl)methanamine;(methylsulfanylsulfinylamino)methane;(methylsulfanylsulfonylamino)methane;pentane;(E)-pent-2-ene;pent-2-yne;N-propylacetamide
CID 158393433
N-(2-aminoethyl)methanesulfonamide;N-propylacetamide
CID 161235509
bis(1-ethoxypropan-2-one);ethyl acetate;ethyl propanoate;bis(1-methoxybutan-2-one);bis(4-methoxybutan-2-one);methyl butanoate;pentan-2-one;pentan-3-one;propyl acetate
CID 158411526
methyl 4-(2-butoxyethylsulfamoyl)butanoate
CID 54951970
butyl hexanoate;ethyl acetate
CID 160874959
2-acetamidoethanesulfonic acid;2-acetyloxyethanesulfonic acid;benzene;3-methoxycarbonyloxypropane-1-sulfonic acid;4-methoxy-4-oxobutane-1-sulfonic acid;3-methoxypropane-1-sulfonic acid;methyl cyanate;2-methylsulfanylethanesulfonic acid;5-oxoheptane-1-sulfonic acid;pentane-1-sulfonic acid;triethyl(3-oxobutyl)azanium
CID 159523183
2,2-dimethylpropane;N-methylbutanamide;methyl butanoate;propane;propyl butanoate
CID 157113031

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)NC(C)=O.CCC(=O)NC.CCC(=O)NC(C)=O.CCCC(=O)NC.CCCCC(=O)OC.CCCCCOC.CCCCNC.CCCCOC.CCCCOCC.CCCCS(C)(=O)=O.CCCCSC.CCCNC.CCCNC(C)=O.CCCNCC.CCCNS(C)(=O)=O.CCCOC.CCCOC(=O)CC.CCCOCC.CCCS(=O)(=O)CC.CCCS(=O)(=O)NC.CCCS(C)(=O)=O.CCCSC.CCCSCC.CCNC(=O)CC.CCNC(C)=O.CCNCC.CCNS(=O)(=O)CC.CCNS(C)(=O)=O.CCOC(C)=O.CCOCC.CCS(=O)(=O)CC.CCS(=O)(=O)NC.CCSCC.COCCOC.COCOC.
What is the InChIKey of 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?
The InChIKey is WDRJIMBUWZIXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12O2.2C6H14O.C5H9NO2.3C5H11NO.2C5H13N.2C5H12O2S.2C5H12O.2C5H12S.3C4H11NO2S.C4H7NO2.2C4H9NO.2C4H11N.2C4H10O2S.C4H10O2.C4H8O2.2C4H10O.2C4H10S.2C3H9NO2S.C3H8O2/c1-3-4-5-6(7)8-2;1-3-5-8-6(7)4-2;1-3-4-5-6-7-2;1-3-5-6-7-4-2;1-3-5(8)6-4(2)7;1-3-4-5(7)6-2;1-3-4-6-5(2)7;1-3-5(7)6-4-2;1-3-4-5-6-2;1-3-5-6-4-2;1-3-4-5-8(2,6)7;1-3-5-8(6,7)4-2;1-3-4-5-6-2;1-3-5-6-4-2;1-3-4-5-6-2;1-3-5-6-4-2;1-3-4-5-8(2,6)7;1-3-4-8(6,7)5-2;1-3-5-8(6,7)4-2;1-3(6)5-4(2)7;1-3-4(6)5-2;1-3-5-4(2)6;1-3-4-5-2;1-3-5-4-2;1-3-4-7(2,5)6;1-3-7(5,6)4-2;1-5-3-4-6-2;1-3-6-4(2)5;1-3-4-5-2;1-3-5-4-2;1-3-4-5-2;1-3-5-4-2;1-3-4-7(2,5)6;1-3-7(5,6)4-2;1-4-3-5-2/h2*3-5H2,1-2H3;2*3-6H2,1-2H3;3H2,1-2H3,(H,6,7,8);3*3-4H2,1-2H3,(H,6,7);2*6H,3-5H2,1-2H3;2*3-5H2,1-2H3;4*3-5H2,1-2H3;3*5H,3-4H2,1-2H3;1-2H3,(H,5,6,7);2*3H2,1-2H3,(H,5,6);2*5H,3-4H2,1-2H3;2*3-4H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3;4*3-4H2,1-2H3;2*4H,3H2,1-2H3;3H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3593.67 g/mol, XLogP of 26.55, 82 rotatable bonds, 16 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161475704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).