4-methoxybutan-2-one;bis(2-methoxy-N-methylacetamide);bis(3-methoxy-N-methylpropanamide);1-methoxypropan-2-one;N-methylacetamide;bis(methyl N-methylcarbamate)

C36H79N7O17 — CID 158614504

About 4-methoxybutan-2-one;bis(2-methoxy-N-methylacetamide);bis(3-methoxy-N-methylpropanamide);1-methoxypropan-2-one;N-methylacetamide;bis(methyl N-methylcarbamate)

4-methoxybutan-2-one;bis(2-methoxy-N-methylacetamide);bis(3-methoxy-N-methylpropanamide);1-methoxypropan-2-one;N-methylacetamide;bis(methyl N-methylcarbamate) (PubChem CID 158614504) has the molecular formula C36H79N7O17 and a molecular weight of 882.06 g/mol. Its IUPAC name is 4-methoxybutan-2-one;bis(2-methoxy-N-methylacetamide);bis(3-methoxy-N-methylpropanamide);1-methoxypropan-2-one;N-methylacetamide;bis(methyl N-methylcarbamate).

Molecular Properties

• Compound Name: 4-methoxybutan-2-one;bis(2-methoxy-N-methylacetamide);bis(3-methoxy-N-methylpropanamide);1-methoxypropan-2-one;N-methylacetamide;bis(methyl N-methylcarbamate)
• PubChem CID: 158614504
• Molecular Formula: C36H79N7O17
• Molecular Weight: 882.06 g/mol
• Exact Mass: 881.55
• IUPAC Name: 4-methoxybutan-2-one;bis(2-methoxy-N-methylacetamide);bis(3-methoxy-N-methylpropanamide);1-methoxypropan-2-one;N-methylacetamide;bis(methyl N-methylcarbamate)
• SMILES: CNC(=O)CCOC.CNC(=O)CCOC.CNC(=O)COC.CNC(=O)COC.CNC(=O)OC.CNC(=O)OC.CNC(C)=O.COCC(C)=O.COCCC(C)=O
• InChI: InChI=1S/2C5H11NO2.C5H10O2.2C4H9NO2.C4H8O2.2C3H7NO2.C3H7NO/c2*1-6-5(7)3-4-8-2;1-5(6)3-4-7-2;2*1-5-4(6)3-7-2;1-4(5)3-6-2;2*1-4-3(5)6-2;1-3(5)4-2/h2*3-4H2,1-2H3,(H,6,7);3-4H2,1-2H3;2*3H2,1-2H3,(H,5,6);3H2,1-2H3;2*1-2H3,(H,4,5);1-2H3,(H,4,5)
• InChIKey: HXFNDEZQVVPHCL-UHFFFAOYSA-N
• XLogP: -1.17
• TPSA: 311.68 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	882.06
LogP ≤ 5	-1.17
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-methoxybutan-2-one;bis(2-methoxy-N-methylacetamide);bis(3-methoxy-N-methylpropanamide);1-methoxypropan-2-one;N-methylacetamide;bis(methyl N-methylcarbamate)?

The IUPAC name of 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) is 4-methoxybutan-2-one;bis(2-methoxy-N-methylacetamide);bis(3-methoxy-N-methylpropanamide);1-methoxypropan-2-one;N-methylacetamide;bis(methyl N-methylcarbamate).

What is the SMILES notation for 4-methoxybutan-2-one;bis(2-methoxy-N-methylacetamide);bis(3-methoxy-N-methylpropanamide);1-methoxypropan-2-one;N-methylacetamide;bis(methyl N-methylcarbamate)?

The canonical SMILES for 4-methoxybutan-2-one;bis(2-methoxy-N-methylacetamide);bis(3-methoxy-N-methylpropanamide);1-methoxypropan-2-one;N-methylacetamide;bis(methyl N-methylcarbamate) is CNC(=O)CCOC.CNC(=O)CCOC.CNC(=O)COC.CNC(=O)COC.CNC(=O)OC.CNC(=O)OC.CNC(C)=O.COCC(C)=O.COCCC(C)=O.

What is the InChIKey of 4-methoxybutan-2-one;bis(2-methoxy-N-methylacetamide);bis(3-methoxy-N-methylpropanamide);1-methoxypropan-2-one;N-methylacetamide;bis(methyl N-methylcarbamate)?

The InChIKey is HXFNDEZQVVPHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11NO2.C5H10O2.2C4H9NO2.C4H8O2.2C3H7NO2.C3H7NO/c2*1-6-5(7)3-4-8-2;1-5(6)3-4-7-2;2*1-5-4(6)3-7-2;1-4(5)3-6-2;2*1-4-3(5)6-2;1-3(5)4-2/h2*3-4H2,1-2H3,(H,6,7);3-4H2,1-2H3;2*3H2,1-2H3,(H,5,6);3H2,1-2H3;2*1-2H3,(H,4,5);1-2H3,(H,4,5).

What are the key properties of 4-methoxybutan-2-one;bis(2-methoxy-N-methylacetamide);bis(3-methoxy-N-methylpropanamide);1-methoxypropan-2-one;N-methylacetamide;bis(methyl N-methylcarbamate)?

4-methoxybutan-2-one;bis(2-methoxy-N-methylacetamide);bis(3-methoxy-N-methylpropanamide);1-methoxypropan-2-one;N-methylacetamide;bis(methyl N-methylcarbamate) has a molecular weight of 882.06 g/mol, XLogP of -1.17, 15 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxybutan-2-one;bis(2-methoxy-N-methylacetamide);bis(3-methoxy-N-methylpropanamide);1-methoxypropan-2-one;N-methylacetamide;bis(methyl N-methylcarbamate) is sourced from PubChem (CID 158614504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).