About N-(2-methoxyethyl)-N-methyl-1-propylpyrrolidine-3-carboxamide
N-(2-methoxyethyl)-N-methyl-1-propylpyrrolidine-3-carboxamide (PubChem CID 59535639) has the molecular formula C12H24N2O2
and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-1-propylpyrrolidine-3-carboxamide.
Molecular Properties
| Compound Name | N-(2-methoxyethyl)-N-methyl-1-propylpyrrolidine-3-carboxamide |
| PubChem CID | 59535639 |
| Molecular Formula | C12H24N2O2 |
| Molecular Weight | 228.34 g/mol |
| Exact Mass | 228.18 |
| IUPAC Name | N-(2-methoxyethyl)-N-methyl-1-propylpyrrolidine-3-carboxamide |
| SMILES | CCCN1CCC(C(=O)N(C)CCOC)C1 |
| InChI | InChI=1S/C12H24N2O2/c1-4-6-14-7-5-11(10-14)12(15)13(2)8-9-16-3/h11H,4-10H2,1-3H3 |
| InChIKey | KBCCGRVNHBQRHN-UHFFFAOYSA-N |
| XLogP | 0.82 |
| TPSA | 32.78 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 228.34 |
| LogP ≤ 5 | 0.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-1-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-1-propylpyrrolidine-3-carboxamide (CID 59535639) is N-(2-methoxyethyl)-N-methyl-1-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-1-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-1-propylpyrrolidine-3-carboxamide is CCCN1CCC(C(=O)N(C)CCOC)C1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-1-propylpyrrolidine-3-carboxamide?
The InChIKey is KBCCGRVNHBQRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-6-14-7-5-11(10-14)12(15)13(2)8-9-16-3/h11H,4-10H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-1-propylpyrrolidine-3-carboxamide?
N-(2-methoxyethyl)-N-methyl-1-propylpyrrolidine-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-1-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 59535639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).