About N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]acetamide
N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]acetamide (PubChem CID 10231953) has the molecular formula C34H39N5O4
and a molecular weight of 581.72 g/mol. Its IUPAC name is N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]acetamide.
Molecular Properties
| Compound Name | N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]acetamide |
|---|
| PubChem CID | 10231953 |
|---|
| Molecular Formula | C34H39N5O4 |
|---|
| Molecular Weight | 581.72 g/mol |
|---|
| Exact Mass | 581.30 |
|---|
| IUPAC Name | N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]acetamide |
|---|
| SMILES | COc1c(NC(C)=O)cc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12 |
|---|
| InChI | InChI=1S/C34H39N5O4/c1-22(40)36-30-18-24(34(2,3)4)19-31(32(30)42-5)38-33(41)37-29-13-12-26(27-8-6-7-9-28(27)29)23-10-11-25(35-20-23)21-39-14-16-43-17-15-39/h6-13,18-20H,14-17,21H2,1-5H3,(H,36,40)(H2,37,38,41) |
|---|
| InChIKey | CGONTLDBLAAPSU-UHFFFAOYSA-N |
|---|
| XLogP | 6.64 |
|---|
| TPSA | 104.82 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 43 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 581.72 |
| LogP ≤ 5 | 6.64 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]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-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]acetamide (CID 10231953) is N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]acetamide is COc1c(NC(C)=O)cc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.
What is the InChIKey of N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]acetamide?
The InChIKey is CGONTLDBLAAPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N5O4/c1-22(40)36-30-18-24(34(2,3)4)19-31(32(30)42-5)38-33(41)37-29-13-12-26(27-8-6-7-9-28(27)29)23-10-11-25(35-20-23)21-39-14-16-43-17-15-39/h6-13,18-20H,14-17,21H2,1-5H3,(H,36,40)(H2,37,38,41).
What are the key properties of N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]acetamide?
N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]acetamide has a molecular weight of 581.72 g/mol, XLogP of 6.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 10231953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).