2-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C22H26ClN3O4 — CID 24687582

IUPAC2-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C22H26ClN3O4/c1-16-3-8-19(23)20(13-16)30-15-22(28)25(2)14-21(27)24-17-4-6-18(7-5-17)26-9-11-29-12-10-26/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,27)
InChIKeyCGGPARUOCWQTBS-UHFFFAOYSA-N
MW431.92 g/mol
LogP2.96
Rot. Bonds7

About 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 24687582) has the molecular formula C22H26ClN3O4 and a molecular weight of 431.92 g/mol. Its IUPAC name is 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID24687582
Molecular FormulaC22H26ClN3O4
Molecular Weight431.92 g/mol
Exact Mass431.16
IUPAC Name2-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C22H26ClN3O4/c1-16-3-8-19(23)20(13-16)30-15-22(28)25(2)14-21(27)24-17-4-6-18(7-5-17)26-9-11-29-12-10-26/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,27)
InChIKeyCGGPARUOCWQTBS-UHFFFAOYSA-N
XLogP2.96
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 24687582) is 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is Cc1ccc(Cl)c(OCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is CGGPARUOCWQTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4/c1-16-3-8-19(23)20(13-16)30-15-22(28)25(2)14-21(27)24-17-4-6-18(7-5-17)26-9-11-29-12-10-26/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,27).
What are the key properties of 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 431.92 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 24687582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).