About N-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]phenyl]methylamino]ethyl]acetamide
N-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]phenyl]methylamino]ethyl]acetamide (PubChem CID 118434672) has the molecular formula C30H35N3O4
and a molecular weight of 501.63 g/mol. Its IUPAC name is N-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]phenyl]methylamino]ethyl]acetamide.
Molecular Properties
| Compound Name | N-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]phenyl]methylamino]ethyl]acetamide |
|---|
| PubChem CID | 118434672 |
|---|
| Molecular Formula | C30H35N3O4 |
|---|
| Molecular Weight | 501.63 g/mol |
|---|
| Exact Mass | 501.26 |
|---|
| IUPAC Name | N-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]phenyl]methylamino]ethyl]acetamide |
|---|
| SMILES | CC(=O)NCCNCc1ccc(OCc2cccc(-c3ccccc3)c2C)cc1OC[C@@H]1CCC(=O)N1 |
|---|
| InChI | InChI=1S/C30H35N3O4/c1-21-25(9-6-10-28(21)23-7-4-3-5-8-23)19-36-27-13-11-24(18-31-15-16-32-22(2)34)29(17-27)37-20-26-12-14-30(35)33-26/h3-11,13,17,26,31H,12,14-16,18-20H2,1-2H3,(H,32,34)(H,33,35)/t26-/m0/s1 |
|---|
| InChIKey | NWOUVWYQHYZUBR-SANMLTNESA-N |
|---|
| XLogP | 4.12 |
|---|
| TPSA | 88.69 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 12 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 501.63 |
| LogP ≤ 5 | 4.12 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Analyze N-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]phenyl]methylamino]ethyl]acetamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of N-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]phenyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]phenyl]methylamino]ethyl]acetamide (CID 118434672) is N-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]phenyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]phenyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]phenyl]methylamino]ethyl]acetamide is CC(=O)NCCNCc1ccc(OCc2cccc(-c3ccccc3)c2C)cc1OC[C@@H]1CCC(=O)N1.
What is the InChIKey of N-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]phenyl]methylamino]ethyl]acetamide?
The InChIKey is NWOUVWYQHYZUBR-SANMLTNESA-N. The full InChI is InChI=1S/C30H35N3O4/c1-21-25(9-6-10-28(21)23-7-4-3-5-8-23)19-36-27-13-11-24(18-31-15-16-32-22(2)34)29(17-27)37-20-26-12-14-30(35)33-26/h3-11,13,17,26,31H,12,14-16,18-20H2,1-2H3,(H,32,34)(H,33,35)/t26-/m0/s1.
What are the key properties of N-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]phenyl]methylamino]ethyl]acetamide?
N-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]phenyl]methylamino]ethyl]acetamide has a molecular weight of 501.63 g/mol, XLogP of 4.12, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]phenyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 118434672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).