2-[2-[(3-chlorophenoxy)methyl]-4-[4-(dimethylamino)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone

C26H32ClN3O5 — CID 132780544

About 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(dimethylamino)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone

2-[2-[(3-chlorophenoxy)methyl]-4-[4-(dimethylamino)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone (PubChem CID 132780544) has the molecular formula C26H32ClN3O5 and a molecular weight of 502.01 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(dimethylamino)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone.

Molecular Properties

• Compound Name: 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(dimethylamino)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone
• PubChem CID: 132780544
• Molecular Formula: C26H32ClN3O5
• Molecular Weight: 502.01 g/mol
• Exact Mass: 501.20
• IUPAC Name: 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(dimethylamino)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone
• SMILES: CN(C)c1ccc(C(=O)N2CCOC(COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)C2)cc1
• InChI: InChI=1S/C26H32ClN3O5/c1-28(2)22-8-6-20(7-9-22)25(32)30-12-15-35-26(18-30,17-24(31)29-10-13-33-14-11-29)19-34-23-5-3-4-21(27)16-23/h3-9,16H,10-15,17-19H2,1-2H3
• InChIKey: NCLDTCUJGYJBAF-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 71.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.01
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(dimethylamino)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone?

The IUPAC name of 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(dimethylamino)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone (CID 132780544) is 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(dimethylamino)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone.

What is the SMILES notation for 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(dimethylamino)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone?

The canonical SMILES for 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(dimethylamino)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone is CN(C)c1ccc(C(=O)N2CCOC(COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)C2)cc1.

What is the InChIKey of 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(dimethylamino)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone?

The InChIKey is NCLDTCUJGYJBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O5/c1-28(2)22-8-6-20(7-9-22)25(32)30-12-15-35-26(18-30,17-24(31)29-10-13-33-14-11-29)19-34-23-5-3-4-21(27)16-23/h3-9,16H,10-15,17-19H2,1-2H3.

What are the key properties of 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(dimethylamino)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone?

2-[2-[(3-chlorophenoxy)methyl]-4-[4-(dimethylamino)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone has a molecular weight of 502.01 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(dimethylamino)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 132780544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).