(4S,5R)-5-(cyclohexylmethyl)-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-9,9-dimethyl-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-7-oxodecanamide

C41H60N2O6 — CID 54176270

About (4S,5R)-5-(cyclohexylmethyl)-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-9,9-dimethyl-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-7-oxodecanamide

(4S,5R)-5-(cyclohexylmethyl)-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-9,9-dimethyl-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-7-oxodecanamide (PubChem CID 54176270) has the molecular formula C41H60N2O6 and a molecular weight of 676.94 g/mol. Its IUPAC name is (4S,5R)-5-(cyclohexylmethyl)-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-9,9-dimethyl-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-7-oxodecanamide.

Molecular Properties

• Compound Name: (4S,5R)-5-(cyclohexylmethyl)-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-9,9-dimethyl-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-7-oxodecanamide
• PubChem CID: 54176270
• Molecular Formula: C41H60N2O6
• Molecular Weight: 676.94 g/mol
• Exact Mass: 676.45
• IUPAC Name: (4S,5R)-5-(cyclohexylmethyl)-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-9,9-dimethyl-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-7-oxodecanamide
• SMILES: CC(C)(C)CC(=O)C[C@@H](CC1CCCCC1)[C@@H](O)CCC(=O)N(Cc1ccc(OCCN2CCOCC2)cc1)[C@H]1c2ccccc2C[C@H]1O
• InChI: InChI=1S/C41H60N2O6/c1-41(2,3)28-34(44)26-33(25-30-9-5-4-6-10-30)37(45)17-18-39(47)43(40-36-12-8-7-11-32(36)27-38(40)46)29-31-13-15-35(16-14-31)49-24-21-42-19-22-48-23-20-42/h7-8,11-16,30,33,37-38,40,45-46H,4-6,9-10,17-29H2,1-3H3/t33-,37+,38-,40+/m1/s1
• InChIKey: OYORTINHUXVWAH-MTZNQXOKSA-N
• XLogP: 6.51
• TPSA: 99.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.94
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-(cyclohexylmethyl)-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-9,9-dimethyl-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-7-oxodecanamide?

The IUPAC name of (4S,5R)-5-(cyclohexylmethyl)-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-9,9-dimethyl-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-7-oxodecanamide (CID 54176270) is (4S,5R)-5-(cyclohexylmethyl)-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-9,9-dimethyl-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-7-oxodecanamide.

What is the SMILES notation for (4S,5R)-5-(cyclohexylmethyl)-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-9,9-dimethyl-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-7-oxodecanamide?

The canonical SMILES for (4S,5R)-5-(cyclohexylmethyl)-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-9,9-dimethyl-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-7-oxodecanamide is CC(C)(C)CC(=O)C[C@@H](CC1CCCCC1)[C@@H](O)CCC(=O)N(Cc1ccc(OCCN2CCOCC2)cc1)[C@H]1c2ccccc2C[C@H]1O.

What is the InChIKey of (4S,5R)-5-(cyclohexylmethyl)-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-9,9-dimethyl-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-7-oxodecanamide?

The InChIKey is OYORTINHUXVWAH-MTZNQXOKSA-N. The full InChI is InChI=1S/C41H60N2O6/c1-41(2,3)28-34(44)26-33(25-30-9-5-4-6-10-30)37(45)17-18-39(47)43(40-36-12-8-7-11-32(36)27-38(40)46)29-31-13-15-35(16-14-31)49-24-21-42-19-22-48-23-20-42/h7-8,11-16,30,33,37-38,40,45-46H,4-6,9-10,17-29H2,1-3H3/t33-,37+,38-,40+/m1/s1.

What are the key properties of (4S,5R)-5-(cyclohexylmethyl)-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-9,9-dimethyl-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-7-oxodecanamide?

(4S,5R)-5-(cyclohexylmethyl)-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-9,9-dimethyl-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-7-oxodecanamide has a molecular weight of 676.94 g/mol, XLogP of 6.51, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-5-(cyclohexylmethyl)-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-9,9-dimethyl-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-7-oxodecanamide is sourced from PubChem (CID 54176270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).