1-tert-butyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
Formula:C16H23N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-tert-butyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea is a drug-like molecule.
| MolName | 1-tert-butyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea |
| MolecularFormula | C16H23N3O2 |
| Smiles | CC(C)(C)NC(NCCc1c[nH]c(cc2)c1cc2OC)=O |
| InChI | InChI=1S/C16H23N3O2/c1-16(2,3)19-15(20)17-8-7-11-10-18-14-6-5-12(21-4)9-13(11)14/h5-6,9-10,18H,7-8H2,1-4H3,(H2,17,19,20) |
| InChIK | HWMSBYRXWQVLAQ-UHFFFAOYSA-N |
| TotalMolweight | 289.378 |
| Molweight | 289.378 |
| MonoisotopicMass | 289.179027 |
| CLogP | 2.3474 |
| CLogS | -3.395 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 235.07 |
| Relative PSA | 0.25503 |
| PolarSurfaceArea | 66.15 |
| Druglikeness | 2.275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-tert-butyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea | 2 - 1-tert-butyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off