1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one

C30H42N2O6 — CID 19866835

About 1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one

1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 19866835) has the molecular formula C30H42N2O6 and a molecular weight of 526.67 g/mol. Its IUPAC name is 1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

• Compound Name: 1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
• PubChem CID: 19866835
• Molecular Formula: C30H42N2O6
• Molecular Weight: 526.67 g/mol
• Exact Mass: 526.30
• IUPAC Name: 1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
• SMILES: COCCN(CCOC)C(C)(C)C(=O)c1ccc(Oc2ccc(C(=O)C(C)(C)N3CCOCC3)cc2)cc1
• InChI: InChI=1S/C30H42N2O6/c1-29(2,31(15-19-35-5)16-20-36-6)27(33)23-7-11-25(12-8-23)38-26-13-9-24(10-14-26)28(34)30(3,4)32-17-21-37-22-18-32/h7-14H,15-22H2,1-6H3
• InChIKey: WXVYNAJWVCBRAU-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 77.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.67
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?

The IUPAC name of 1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one (CID 19866835) is 1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one.

What is the SMILES notation for 1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?

The canonical SMILES for 1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one is COCCN(CCOC)C(C)(C)C(=O)c1ccc(Oc2ccc(C(=O)C(C)(C)N3CCOCC3)cc2)cc1.

What is the InChIKey of 1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?

The InChIKey is WXVYNAJWVCBRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O6/c1-29(2,31(15-19-35-5)16-20-36-6)27(33)23-7-11-25(12-8-23)38-26-13-9-24(10-14-26)28(34)30(3,4)32-17-21-37-22-18-32/h7-14H,15-22H2,1-6H3.

What are the key properties of 1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?

1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 526.67 g/mol, XLogP of 4.33, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 19866835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).