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)

C36H80N4O26 — CID 158855811

IUPACbis(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)
SMILESC.C.CN.CNC(=O)CO.CNC(=O)CO.CNC(=O)COC(=O)COC.CO.COC(=O)CO.COC(=O)CO.COCC(=O)OC.COCC(=O)OC.COCC(=O)OCC(=O)OC
InChIInChI=1S/C6H11NO4.C6H10O5.2C4H8O3.2C3H7NO2.2C3H6O3.CH5N.CH4O.2CH4/c1-7-5(8)3-11-6(9)4-10-2;1-9-3-6(8)11-4-5(7)10-2;2*1-6-3-4(5)7-2;2*1-4-3(6)2-5;2*1-6-3(5)2-4;2*1-2;;/h3-4H2,1-2H3,(H,7,8);3-4H2,1-2H3;2*3H2,1-2H3;2*5H,2H2,1H3,(H,4,6);2*4H,2H2,1H3;2H2,1H3;2H,1H3;2*1H4
InChIKeyJAAOCMVIFAQBAD-UHFFFAOYSA-N
MW985.04 g/mol
LogP-5.91
Rot. Bonds16

About 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)

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) (PubChem CID 158855811) has the molecular formula C36H80N4O26 and a molecular weight of 985.04 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namebis(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)
PubChem CID158855811
Molecular FormulaC36H80N4O26
Molecular Weight985.04 g/mol
Exact Mass984.51
IUPAC Namebis(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)
SMILESC.C.CN.CNC(=O)CO.CNC(=O)CO.CNC(=O)COC(=O)COC.CO.COC(=O)CO.COC(=O)CO.COCC(=O)OC.COCC(=O)OC.COCC(=O)OCC(=O)OC
InChIInChI=1S/C6H11NO4.C6H10O5.2C4H8O3.2C3H7NO2.2C3H6O3.CH5N.CH4O.2CH4/c1-7-5(8)3-11-6(9)4-10-2;1-9-3-6(8)11-4-5(7)10-2;2*1-6-3-4(5)7-2;2*1-4-3(6)2-5;2*1-6-3(5)2-4;2*1-2;;/h3-4H2,1-2H3,(H,7,8);3-4H2,1-2H3;2*3H2,1-2H3;2*5H,2H2,1H3,(H,4,6);2*4H,2H2,1H3;2H2,1H3;2H,1H3;2*1H4
InChIKeyJAAOCMVIFAQBAD-UHFFFAOYSA-N
XLogP-5.91
TPSA435.49 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds16
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500985.04
LogP ≤ 5-5.91
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 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) with MolForge

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Related Compounds

[2-(methylamino)-2-oxoethyl] propanoate
CID 131176227
1,2-dimethoxyethane;methyl 2-methoxyacetate
CID 159708370
methane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate
CID 159147604
(2-hydroxyacetyl)oxymethyl 2-hydroxyacetate;methane;methanediol;[2-[(methoxymethoxycarbonylamino)methylcarbamoyloxy]acetyl]oxymethyl 2-methoxyacetate
CID 161388859
(2-methoxy-2-oxoethyl) 2-aminoacetate
CID 87368434
CID 172843337
CID 172843337
(2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate
CID 59253966
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate
CID 2416190
(2-ethoxy-2-oxoethyl) 2-hydroxyacetate
CID 57037342
2-(methylamino)ethyl 2-methoxyacetate
CID 23093561
methyl 2-(methylaminooxy)acetate
CID 87955923
[2-(methylamino)-2-oxoethyl] 2-phenoxyacetate
CID 7980270

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is C.C.CN.CNC(=O)CO.CNC(=O)CO.CNC(=O)COC(=O)COC.CO.COC(=O)CO.COC(=O)CO.COCC(=O)OC.COCC(=O)OC.COCC(=O)OCC(=O)OC.
What is the InChIKey of 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)?
The InChIKey is JAAOCMVIFAQBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4.C6H10O5.2C4H8O3.2C3H7NO2.2C3H6O3.CH5N.CH4O.2CH4/c1-7-5(8)3-11-6(9)4-10-2;1-9-3-6(8)11-4-5(7)10-2;2*1-6-3-4(5)7-2;2*1-4-3(6)2-5;2*1-6-3(5)2-4;2*1-2;;/h3-4H2,1-2H3,(H,7,8);3-4H2,1-2H3;2*3H2,1-2H3;2*5H,2H2,1H3,(H,4,6);2*4H,2H2,1H3;2H2,1H3;2H,1H3;2*1H4.
What are the key properties of 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)?
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) has a molecular weight of 985.04 g/mol, XLogP of -5.91, 16 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 158855811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).