About N-cycloheptyl-2-(oxolan-3-ylamino)acetamide
N-cycloheptyl-2-(oxolan-3-ylamino)acetamide (PubChem CID 80714047) has the molecular formula C13H24N2O2
and a molecular weight of 240.35 g/mol. Its IUPAC name is N-cycloheptyl-2-(oxolan-3-ylamino)acetamide.
Molecular Properties
| Compound Name | N-cycloheptyl-2-(oxolan-3-ylamino)acetamide |
| PubChem CID | 80714047 |
| Molecular Formula | C13H24N2O2 |
| Molecular Weight | 240.35 g/mol |
| Exact Mass | 240.18 |
| IUPAC Name | N-cycloheptyl-2-(oxolan-3-ylamino)acetamide |
| SMILES | O=C(CNC1CCOC1)NC1CCCCCC1 |
| InChI | InChI=1S/C13H24N2O2/c16-13(9-14-12-7-8-17-10-12)15-11-5-3-1-2-4-6-11/h11-12,14H,1-10H2,(H,15,16) |
| InChIKey | NLDUWXXSRUFIAF-UHFFFAOYSA-N |
| XLogP | 1.20 |
| TPSA | 50.36 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 240.35 |
| LogP ≤ 5 | 1.20 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-cycloheptyl-2-(oxolan-3-ylamino)acetamide?
The IUPAC name of N-cycloheptyl-2-(oxolan-3-ylamino)acetamide (CID 80714047) is N-cycloheptyl-2-(oxolan-3-ylamino)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(oxolan-3-ylamino)acetamide?
The canonical SMILES for N-cycloheptyl-2-(oxolan-3-ylamino)acetamide is O=C(CNC1CCOC1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(oxolan-3-ylamino)acetamide?
The InChIKey is NLDUWXXSRUFIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-13(9-14-12-7-8-17-10-12)15-11-5-3-1-2-4-6-11/h11-12,14H,1-10H2,(H,15,16).
What are the key properties of N-cycloheptyl-2-(oxolan-3-ylamino)acetamide?
N-cycloheptyl-2-(oxolan-3-ylamino)acetamide has a molecular weight of 240.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(oxolan-3-ylamino)acetamide is sourced from PubChem (CID 80714047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).