N-[4-amino-5-hydroxy-8-methyl-7-(2-morpholin-4-ylethylcarbamoyl)-2-propan-2-ylnonyl]-4-(2-amino-2-oxoethoxy)-2-(4-methoxybutoxy)benzamide

C34H59N5O8 — CID 22377887

About N-[4-amino-5-hydroxy-8-methyl-7-(2-morpholin-4-ylethylcarbamoyl)-2-propan-2-ylnonyl]-4-(2-amino-2-oxoethoxy)-2-(4-methoxybutoxy)benzamide

N-[4-amino-5-hydroxy-8-methyl-7-(2-morpholin-4-ylethylcarbamoyl)-2-propan-2-ylnonyl]-4-(2-amino-2-oxoethoxy)-2-(4-methoxybutoxy)benzamide (PubChem CID 22377887) has the molecular formula C34H59N5O8 and a molecular weight of 665.87 g/mol. Its IUPAC name is N-[4-amino-5-hydroxy-8-methyl-7-(2-morpholin-4-ylethylcarbamoyl)-2-propan-2-ylnonyl]-4-(2-amino-2-oxoethoxy)-2-(4-methoxybutoxy)benzamide.

Molecular Properties

• Compound Name: N-[4-amino-5-hydroxy-8-methyl-7-(2-morpholin-4-ylethylcarbamoyl)-2-propan-2-ylnonyl]-4-(2-amino-2-oxoethoxy)-2-(4-methoxybutoxy)benzamide
• PubChem CID: 22377887
• Molecular Formula: C34H59N5O8
• Molecular Weight: 665.87 g/mol
• Exact Mass: 665.44
• IUPAC Name: N-[4-amino-5-hydroxy-8-methyl-7-(2-morpholin-4-ylethylcarbamoyl)-2-propan-2-ylnonyl]-4-(2-amino-2-oxoethoxy)-2-(4-methoxybutoxy)benzamide
• SMILES: COCCCCOc1cc(OCC(N)=O)ccc1C(=O)NCC(CC(N)C(O)CC(C(=O)NCCN1CCOCC1)C(C)C)C(C)C
• InChI: InChI=1S/C34H59N5O8/c1-23(2)25(18-29(35)30(40)20-28(24(3)4)34(43)37-10-11-39-12-16-45-17-13-39)21-38-33(42)27-9-8-26(47-22-32(36)41)19-31(27)46-15-7-6-14-44-5/h8-9,19,23-25,28-30,40H,6-7,10-18,20-22,35H2,1-5H3,(H2,36,41)(H,37,43)(H,38,42)
• InChIKey: FAPIZEXVNUUWAD-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 187.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	665.87
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-5-hydroxy-8-methyl-7-(2-morpholin-4-ylethylcarbamoyl)-2-propan-2-ylnonyl]-4-(2-amino-2-oxoethoxy)-2-(4-methoxybutoxy)benzamide?

The IUPAC name of N-[4-amino-5-hydroxy-8-methyl-7-(2-morpholin-4-ylethylcarbamoyl)-2-propan-2-ylnonyl]-4-(2-amino-2-oxoethoxy)-2-(4-methoxybutoxy)benzamide (CID 22377887) is N-[4-amino-5-hydroxy-8-methyl-7-(2-morpholin-4-ylethylcarbamoyl)-2-propan-2-ylnonyl]-4-(2-amino-2-oxoethoxy)-2-(4-methoxybutoxy)benzamide.

What is the SMILES notation for N-[4-amino-5-hydroxy-8-methyl-7-(2-morpholin-4-ylethylcarbamoyl)-2-propan-2-ylnonyl]-4-(2-amino-2-oxoethoxy)-2-(4-methoxybutoxy)benzamide?

The canonical SMILES for N-[4-amino-5-hydroxy-8-methyl-7-(2-morpholin-4-ylethylcarbamoyl)-2-propan-2-ylnonyl]-4-(2-amino-2-oxoethoxy)-2-(4-methoxybutoxy)benzamide is COCCCCOc1cc(OCC(N)=O)ccc1C(=O)NCC(CC(N)C(O)CC(C(=O)NCCN1CCOCC1)C(C)C)C(C)C.

What is the InChIKey of N-[4-amino-5-hydroxy-8-methyl-7-(2-morpholin-4-ylethylcarbamoyl)-2-propan-2-ylnonyl]-4-(2-amino-2-oxoethoxy)-2-(4-methoxybutoxy)benzamide?

The InChIKey is FAPIZEXVNUUWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H59N5O8/c1-23(2)25(18-29(35)30(40)20-28(24(3)4)34(43)37-10-11-39-12-16-45-17-13-39)21-38-33(42)27-9-8-26(47-22-32(36)41)19-31(27)46-15-7-6-14-44-5/h8-9,19,23-25,28-30,40H,6-7,10-18,20-22,35H2,1-5H3,(H2,36,41)(H,37,43)(H,38,42).

What are the key properties of N-[4-amino-5-hydroxy-8-methyl-7-(2-morpholin-4-ylethylcarbamoyl)-2-propan-2-ylnonyl]-4-(2-amino-2-oxoethoxy)-2-(4-methoxybutoxy)benzamide?

N-[4-amino-5-hydroxy-8-methyl-7-(2-morpholin-4-ylethylcarbamoyl)-2-propan-2-ylnonyl]-4-(2-amino-2-oxoethoxy)-2-(4-methoxybutoxy)benzamide has a molecular weight of 665.87 g/mol, XLogP of 1.55, 23 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-amino-5-hydroxy-8-methyl-7-(2-morpholin-4-ylethylcarbamoyl)-2-propan-2-ylnonyl]-4-(2-amino-2-oxoethoxy)-2-(4-methoxybutoxy)benzamide is sourced from PubChem (CID 22377887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).