About N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;methane;N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate
N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;methane;N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate (PubChem CID 159960208) has the molecular formula C24H57N3O5
and a molecular weight of 467.74 g/mol. Its IUPAC name is N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;methane;N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate.
Molecular Properties
| Compound Name | N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;methane;N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate |
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| PubChem CID | 159960208 |
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| Molecular Formula | C24H57N3O5 |
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| Molecular Weight | 467.74 g/mol |
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| Exact Mass | 467.43 |
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| IUPAC Name | N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;methane;N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate |
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| SMILES | C.C.C=C(C)OC.CCC(C)=NOC.CCN(C)C(C)=O.CCN(C)CC.COC(C)=O |
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| InChI | InChI=1S/2C5H11NO.C5H13N.C4H8O.C3H6O2.2CH4/c1-4-6(3)5(2)7;1-4-5(2)6-7-3;1-4-6(3)5-2;1-4(2)5-3;1-3(4)5-2;;/h2*4H2,1-3H3;4-5H2,1-3H3;1H2,2-3H3;1-2H3;2*1H4 |
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| InChIKey | ODFPMYWITVCCQE-UHFFFAOYSA-N |
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| XLogP | 5.48 |
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| TPSA | 80.67 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 467.74 |
| LogP ≤ 5 | 5.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;methane;N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate?
The IUPAC name of N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;methane;N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate (CID 159960208) is N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;methane;N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate.
What is the SMILES notation for N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;methane;N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate?
The canonical SMILES for N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;methane;N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate is C.C.C=C(C)OC.CCC(C)=NOC.CCN(C)C(C)=O.CCN(C)CC.COC(C)=O.
What is the InChIKey of N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;methane;N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate?
The InChIKey is ODFPMYWITVCCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11NO.C5H13N.C4H8O.C3H6O2.2CH4/c1-4-6(3)5(2)7;1-4-5(2)6-7-3;1-4-6(3)5-2;1-4(2)5-3;1-3(4)5-2;;/h2*4H2,1-3H3;4-5H2,1-3H3;1H2,2-3H3;1-2H3;2*1H4.
What are the key properties of N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;methane;N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate?
N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;methane;N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate has a molecular weight of 467.74 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;methane;N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate is sourced from PubChem (CID 159960208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).