4,10,16-trimethyl-3,9-bis(2-methylpropyl)-6-[(4-morpholin-4-ylphenyl)methyl]-1,7-dioxa-4,10-diazacyclohexadecane-2,5,8,15-tetrone

C34H53N3O7 — CID 22947993

About 4,10,16-trimethyl-3,9-bis(2-methylpropyl)-6-[(4-morpholin-4-ylphenyl)methyl]-1,7-dioxa-4,10-diazacyclohexadecane-2,5,8,15-tetrone

4,10,16-trimethyl-3,9-bis(2-methylpropyl)-6-[(4-morpholin-4-ylphenyl)methyl]-1,7-dioxa-4,10-diazacyclohexadecane-2,5,8,15-tetrone (PubChem CID 22947993) has the molecular formula C34H53N3O7 and a molecular weight of 615.81 g/mol. Its IUPAC name is 4,10,16-trimethyl-3,9-bis(2-methylpropyl)-6-[(4-morpholin-4-ylphenyl)methyl]-1,7-dioxa-4,10-diazacyclohexadecane-2,5,8,15-tetrone.

Molecular Properties

• Compound Name: 4,10,16-trimethyl-3,9-bis(2-methylpropyl)-6-[(4-morpholin-4-ylphenyl)methyl]-1,7-dioxa-4,10-diazacyclohexadecane-2,5,8,15-tetrone
• PubChem CID: 22947993
• Molecular Formula: C34H53N3O7
• Molecular Weight: 615.81 g/mol
• Exact Mass: 615.39
• IUPAC Name: 4,10,16-trimethyl-3,9-bis(2-methylpropyl)-6-[(4-morpholin-4-ylphenyl)methyl]-1,7-dioxa-4,10-diazacyclohexadecane-2,5,8,15-tetrone
• SMILES: CC(C)CC1C(=O)OC(Cc2ccc(N3CCOCC3)cc2)C(=O)N(C)C(CC(C)C)C(=O)OC(C)C(=O)CCCCN1C
• InChI: InChI=1S/C34H53N3O7/c1-23(2)20-28-33(40)44-31(22-26-11-13-27(14-12-26)37-16-18-42-19-17-37)32(39)36(7)29(21-24(3)4)34(41)43-25(5)30(38)10-8-9-15-35(28)6/h11-14,23-25,28-29,31H,8-10,15-22H2,1-7H3
• InChIKey: QATYGRSCRLIPPT-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 105.69 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	615.81
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,10,16-trimethyl-3,9-bis(2-methylpropyl)-6-[(4-morpholin-4-ylphenyl)methyl]-1,7-dioxa-4,10-diazacyclohexadecane-2,5,8,15-tetrone?

The IUPAC name of 4,10,16-trimethyl-3,9-bis(2-methylpropyl)-6-[(4-morpholin-4-ylphenyl)methyl]-1,7-dioxa-4,10-diazacyclohexadecane-2,5,8,15-tetrone (CID 22947993) is 4,10,16-trimethyl-3,9-bis(2-methylpropyl)-6-[(4-morpholin-4-ylphenyl)methyl]-1,7-dioxa-4,10-diazacyclohexadecane-2,5,8,15-tetrone.

What is the SMILES notation for 4,10,16-trimethyl-3,9-bis(2-methylpropyl)-6-[(4-morpholin-4-ylphenyl)methyl]-1,7-dioxa-4,10-diazacyclohexadecane-2,5,8,15-tetrone?

The canonical SMILES for 4,10,16-trimethyl-3,9-bis(2-methylpropyl)-6-[(4-morpholin-4-ylphenyl)methyl]-1,7-dioxa-4,10-diazacyclohexadecane-2,5,8,15-tetrone is CC(C)CC1C(=O)OC(Cc2ccc(N3CCOCC3)cc2)C(=O)N(C)C(CC(C)C)C(=O)OC(C)C(=O)CCCCN1C.

What is the InChIKey of 4,10,16-trimethyl-3,9-bis(2-methylpropyl)-6-[(4-morpholin-4-ylphenyl)methyl]-1,7-dioxa-4,10-diazacyclohexadecane-2,5,8,15-tetrone?

The InChIKey is QATYGRSCRLIPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H53N3O7/c1-23(2)20-28-33(40)44-31(22-26-11-13-27(14-12-26)37-16-18-42-19-17-37)32(39)36(7)29(21-24(3)4)34(41)43-25(5)30(38)10-8-9-15-35(28)6/h11-14,23-25,28-29,31H,8-10,15-22H2,1-7H3.

What are the key properties of 4,10,16-trimethyl-3,9-bis(2-methylpropyl)-6-[(4-morpholin-4-ylphenyl)methyl]-1,7-dioxa-4,10-diazacyclohexadecane-2,5,8,15-tetrone?

4,10,16-trimethyl-3,9-bis(2-methylpropyl)-6-[(4-morpholin-4-ylphenyl)methyl]-1,7-dioxa-4,10-diazacyclohexadecane-2,5,8,15-tetrone has a molecular weight of 615.81 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4,10,16-trimethyl-3,9-bis(2-methylpropyl)-6-[(4-morpholin-4-ylphenyl)methyl]-1,7-dioxa-4,10-diazacyclohexadecane-2,5,8,15-tetrone is sourced from PubChem (CID 22947993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).