dimethoxymethane;methoxymethane;bis(N-(methoxymethyl)acetamide);bis(2-methoxy-N-methylacetamide);methoxymethyl acetate;bis(N-methylacetamide);methyl acetate;bis(methyl 2-methoxyacetate);bis(methyl N-methylcarbamate)

C55H122N8O33 — CID 157468676

IUPACdimethoxymethane;methoxymethane;bis(N-(methoxymethyl)acetamide);bis(2-methoxy-N-methylacetamide);methoxymethyl acetate;bis(N-methylacetamide);methyl acetate;bis(methyl 2-methoxyacetate);bis(methyl N-methylcarbamate)
SMILESCNC(=O)COC.CNC(=O)COC.CNC(=O)OC.CNC(=O)OC.CNC(C)=O.CNC(C)=O.COC.COC(C)=O.COC(C)=O.COCC(=O)OC.COCC(=O)OC.COCNC(C)=O.COCNC(C)=O.COCOC.COCOC(C)=O.COCOC(C)=O
InChIInChI=1S/4C4H9NO2.4C4H8O3.2C3H7NO2.2C3H7NO.C3H8O2.2C3H6O2.C2H6O/c2*1-5-4(6)3-7-2;2*1-4(6)5-3-7-2;2*1-6-3-4(5)7-2;2*1-4(5)7-3-6-2;2*1-4-3(5)6-2;2*1-3(5)4-2;1-4-3-5-2;2*1-3(4)5-2;1-3-2/h4*3H2,1-2H3,(H,5,6);4*3H2,1-2H3;2*1-2H3,(H,4,5);2*1-2H3,(H,4,5);3H2,1-2H3;2*1-2H3;1-2H3
InChIKeyBUTPSLPLIIHSLU-UHFFFAOYSA-N
MW1423.60 g/mol
LogP-1.56
Rot. Bonds18

About dimethoxymethane;methoxymethane;bis(N-(methoxymethyl)acetamide);bis(2-methoxy-N-methylacetamide);methoxymethyl acetate;bis(N-methylacetamide);methyl acetate;bis(methyl 2-methoxyacetate);bis(methyl N-methylcarbamate)

dimethoxymethane;methoxymethane;bis(N-(methoxymethyl)acetamide);bis(2-methoxy-N-methylacetamide);methoxymethyl acetate;bis(N-methylacetamide);methyl acetate;bis(methyl 2-methoxyacetate);bis(methyl N-methylcarbamate) (PubChem CID 157468676) has the molecular formula C55H122N8O33 and a molecular weight of 1423.60 g/mol. Its IUPAC name is dimethoxymethane;methoxymethane;bis(N-(methoxymethyl)acetamide);bis(2-methoxy-N-methylacetamide);methoxymethyl acetate;bis(N-methylacetamide);methyl acetate;bis(methyl 2-methoxyacetate);bis(methyl N-methylcarbamate).

Molecular Properties

Compound Namedimethoxymethane;methoxymethane;bis(N-(methoxymethyl)acetamide);bis(2-methoxy-N-methylacetamide);methoxymethyl acetate;bis(N-methylacetamide);methyl acetate;bis(methyl 2-methoxyacetate);bis(methyl N-methylcarbamate)
PubChem CID157468676
Molecular FormulaC55H122N8O33
Molecular Weight1423.60 g/mol
Exact Mass1422.81
IUPAC Namedimethoxymethane;methoxymethane;bis(N-(methoxymethyl)acetamide);bis(2-methoxy-N-methylacetamide);methoxymethyl acetate;bis(N-methylacetamide);methyl acetate;bis(methyl 2-methoxyacetate);bis(methyl N-methylcarbamate)
SMILESCNC(=O)COC.CNC(=O)COC.CNC(=O)OC.CNC(=O)OC.CNC(C)=O.CNC(C)=O.COC.COC(C)=O.COC(C)=O.COCC(=O)OC.COCC(=O)OC.COCNC(C)=O.COCNC(C)=O.COCOC.COCOC(C)=O.COCOC(C)=O
InChIInChI=1S/4C4H9NO2.4C4H8O3.2C3H7NO2.2C3H7NO.C3H8O2.2C3H6O2.C2H6O/c2*1-5-4(6)3-7-2;2*1-4(6)5-3-7-2;2*1-6-3-4(5)7-2;2*1-4(5)7-3-6-2;2*1-4-3(5)6-2;2*1-3(5)4-2;1-4-3-5-2;2*1-3(4)5-2;1-3-2/h4*3H2,1-2H3,(H,5,6);4*3H2,1-2H3;2*1-2H3,(H,4,5);2*1-2H3,(H,4,5);3H2,1-2H3;2*1-2H3;1-2H3
InChIKeyBUTPSLPLIIHSLU-UHFFFAOYSA-N
XLogP-1.56
TPSA510.59 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds18
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001423.60
LogP ≤ 5-1.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze dimethoxymethane;methoxymethane;bis(N-(methoxymethyl)acetamide);bis(2-methoxy-N-methylacetamide);methoxymethyl acetate;bis(N-methylacetamide);methyl acetate;bis(methyl 2-methoxyacetate);bis(methyl N-methylcarbamate) with MolForge

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Related Compounds

4-methoxybutan-2-one;bis(2-methoxy-N-methylacetamide);bis(3-methoxy-N-methylpropanamide);1-methoxypropan-2-one;N-methylacetamide;bis(methyl N-methylcarbamate)
CID 158614504
methyl 2-(methoxymethoxy)acetate
CID 11018922
bis(2-hydroxy-N-methylacetamide);methanamine;methane;methanol;(2-methoxy-2-oxoethyl) 2-methoxyacetate;[2-(methylamino)-2-oxoethyl] 2-methoxyacetate;bis(methyl 2-hydroxyacetate);bis(methyl 2-methoxyacetate)
CID 158855811
4-methoxybutan-2-one;N-(4-methoxybutyl)acetamide;4-methoxybutyl N-methylcarbamate;1-(4-methoxybutyl)-3-methylurea;N-(2-methoxyethyl)acetamide;bis(2-methoxyethyl N-methylcarbamate);2-methoxyethyl methyl carbonate;1-(2-methoxyethyl)-3-methylurea;6-methoxyhexan-2-one;N-(methoxymethyl)acetamide;2-methoxy-N-methylacetamide;4-methoxy-N-methylbutanamide;5-methoxy-N-methylpentanamide;3-methoxy-N-methylpropanamide;5-methoxypentan-2-one;1-methoxypropan-2-one;N-(3-methoxypropyl)acetamide;bis(3-methoxypropyl N-methylcarbamate);3-methoxypropyl methyl carbonate;1-(3-methoxypropyl)-3-methylurea
CID 161180658
methyl N-(methoxymethyl)carbamate
CID 12599260
1,2-dimethoxyethane;methyl 2-methoxyacetate
CID 159708370
N-(acetamidomethyl)acetamide;dimethoxymethane;N,N'-dimethylpropanediamide;isocyanic acid;methoxycarbonyloxymethyl methyl carbonate;methyl N-[(methoxycarbonylamino)methyl]carbamate;1-methyl-3-(methylaminomethyl)urea;2-oxopropyl acetate;pentane-2,4-dione
CID 158264296
butane;ethyl acetate;ethyl N-methylcarbamate;methoxyethane;methoxymethane;1-methoxypropane;N-methylacetamide;methyl acetate;propan-2-one
CID 161489989
2-(methoxymethoxy)prop-2-enyl acetate
CID 10511152
(2-hydroxyacetyl)oxymethyl 2-hydroxyacetate;methane;methanediol;[2-[(methoxymethoxycarbonylamino)methylcarbamoyloxy]acetyl]oxymethyl 2-methoxyacetate
CID 161388859
ethane;bis(methyl N-methylcarbamate)
CID 91355167
methane;bis(methyl N-methylcarbamate)
CID 159560145

Frequently Asked Questions

What is the IUPAC name of dimethoxymethane;methoxymethane;bis(N-(methoxymethyl)acetamide);bis(2-methoxy-N-methylacetamide);methoxymethyl acetate;bis(N-methylacetamide);methyl acetate;bis(methyl 2-methoxyacetate);bis(methyl N-methylcarbamate)?
The IUPAC name of dimethoxymethane;methoxymethane;bis(N-(methoxymethyl)acetamide);bis(2-methoxy-N-methylacetamide);methoxymethyl acetate;bis(N-methylacetamide);methyl acetate;bis(methyl 2-methoxyacetate);bis(methyl N-methylcarbamate) (CID 157468676) is dimethoxymethane;methoxymethane;bis(N-(methoxymethyl)acetamide);bis(2-methoxy-N-methylacetamide);methoxymethyl acetate;bis(N-methylacetamide);methyl acetate;bis(methyl 2-methoxyacetate);bis(methyl N-methylcarbamate).
What is the SMILES notation for dimethoxymethane;methoxymethane;bis(N-(methoxymethyl)acetamide);bis(2-methoxy-N-methylacetamide);methoxymethyl acetate;bis(N-methylacetamide);methyl acetate;bis(methyl 2-methoxyacetate);bis(methyl N-methylcarbamate)?
The canonical SMILES for dimethoxymethane;methoxymethane;bis(N-(methoxymethyl)acetamide);bis(2-methoxy-N-methylacetamide);methoxymethyl acetate;bis(N-methylacetamide);methyl acetate;bis(methyl 2-methoxyacetate);bis(methyl N-methylcarbamate) is CNC(=O)COC.CNC(=O)COC.CNC(=O)OC.CNC(=O)OC.CNC(C)=O.CNC(C)=O.COC.COC(C)=O.COC(C)=O.COCC(=O)OC.COCC(=O)OC.COCNC(C)=O.COCNC(C)=O.COCOC.COCOC(C)=O.COCOC(C)=O.
What is the InChIKey of dimethoxymethane;methoxymethane;bis(N-(methoxymethyl)acetamide);bis(2-methoxy-N-methylacetamide);methoxymethyl acetate;bis(N-methylacetamide);methyl acetate;bis(methyl 2-methoxyacetate);bis(methyl N-methylcarbamate)?
The InChIKey is BUTPSLPLIIHSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H9NO2.4C4H8O3.2C3H7NO2.2C3H7NO.C3H8O2.2C3H6O2.C2H6O/c2*1-5-4(6)3-7-2;2*1-4(6)5-3-7-2;2*1-6-3-4(5)7-2;2*1-4(5)7-3-6-2;2*1-4-3(5)6-2;2*1-3(5)4-2;1-4-3-5-2;2*1-3(4)5-2;1-3-2/h4*3H2,1-2H3,(H,5,6);4*3H2,1-2H3;2*1-2H3,(H,4,5);2*1-2H3,(H,4,5);3H2,1-2H3;2*1-2H3;1-2H3.
What are the key properties of dimethoxymethane;methoxymethane;bis(N-(methoxymethyl)acetamide);bis(2-methoxy-N-methylacetamide);methoxymethyl acetate;bis(N-methylacetamide);methyl acetate;bis(methyl 2-methoxyacetate);bis(methyl N-methylcarbamate)?
dimethoxymethane;methoxymethane;bis(N-(methoxymethyl)acetamide);bis(2-methoxy-N-methylacetamide);methoxymethyl acetate;bis(N-methylacetamide);methyl acetate;bis(methyl 2-methoxyacetate);bis(methyl N-methylcarbamate) has a molecular weight of 1423.60 g/mol, XLogP of -1.56, 18 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethane;methoxymethane;bis(N-(methoxymethyl)acetamide);bis(2-methoxy-N-methylacetamide);methoxymethyl acetate;bis(N-methylacetamide);methyl acetate;bis(methyl 2-methoxyacetate);bis(methyl N-methylcarbamate) is sourced from PubChem (CID 157468676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).