About N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]naphthalene-2-carboxamide
N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]naphthalene-2-carboxamide (PubChem CID 23625785) has the molecular formula C33H40N4O4
and a molecular weight of 556.71 g/mol. Its IUPAC name is N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]naphthalene-2-carboxamide.
Molecular Properties
| Compound Name | N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]naphthalene-2-carboxamide |
|---|
| PubChem CID | 23625785 |
|---|
| Molecular Formula | C33H40N4O4 |
|---|
| Molecular Weight | 556.71 g/mol |
|---|
| Exact Mass | 556.30 |
|---|
| IUPAC Name | N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]naphthalene-2-carboxamide |
|---|
| SMILES | O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc2ccccc2c1 |
|---|
| InChI | InChI=1S/C33H40N4O4/c38-30(28-14-13-26-11-4-5-12-27(26)24-28)36-33(15-6-7-16-33)32(40)35-29(23-25-9-2-1-3-10-25)31(39)34-17-8-18-37-19-21-41-22-20-37/h1-5,9-14,24,29H,6-8,15-23H2,(H,34,39)(H,35,40)(H,36,38)/t29-/m1/s1 |
|---|
| InChIKey | FKLLTKQRAVLCLW-GDLZYMKVSA-N |
|---|
| XLogP | 3.45 |
|---|
| TPSA | 99.77 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 11 |
|---|
| Heavy Atoms | 41 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 556.71 |
| LogP ≤ 5 | 3.45 |
| 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-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]naphthalene-2-carboxamide 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-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]naphthalene-2-carboxamide?
The IUPAC name of N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]naphthalene-2-carboxamide (CID 23625785) is N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]naphthalene-2-carboxamide is O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]naphthalene-2-carboxamide?
The InChIKey is FKLLTKQRAVLCLW-GDLZYMKVSA-N. The full InChI is InChI=1S/C33H40N4O4/c38-30(28-14-13-26-11-4-5-12-27(26)24-28)36-33(15-6-7-16-33)32(40)35-29(23-25-9-2-1-3-10-25)31(39)34-17-8-18-37-19-21-41-22-20-37/h1-5,9-14,24,29H,6-8,15-23H2,(H,34,39)(H,35,40)(H,36,38)/t29-/m1/s1.
What are the key properties of N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]naphthalene-2-carboxamide?
N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]naphthalene-2-carboxamide has a molecular weight of 556.71 g/mol, XLogP of 3.45, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]naphthalene-2-carboxamide is sourced from PubChem (CID 23625785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).