2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide

C20H25N3O3 — CID 9099925

IUPAC2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCOc1ccc(C)cc1NCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H25N3O3/c1-15-3-8-19(25-2)18(13-15)21-14-20(24)22-16-4-6-17(7-5-16)23-9-11-26-12-10-23/h3-8,13,21H,9-12,14H2,1-2H3,(H,22,24)
InChIKeyRIXUDTWPLHNFIY-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.89
Rot. Bonds6

About 2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide

2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 9099925) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID9099925
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCOc1ccc(C)cc1NCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H25N3O3/c1-15-3-8-19(25-2)18(13-15)21-14-20(24)22-16-4-6-17(7-5-16)23-9-11-26-12-10-23/h3-8,13,21H,9-12,14H2,1-2H3,(H,22,24)
InChIKeyRIXUDTWPLHNFIY-UHFFFAOYSA-N
XLogP2.89
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
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-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide (CID 9099925) is 2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide is COc1ccc(C)cc1NCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is RIXUDTWPLHNFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-3-8-19(25-2)18(13-15)21-14-20(24)22-16-4-6-17(7-5-16)23-9-11-26-12-10-23/h3-8,13,21H,9-12,14H2,1-2H3,(H,22,24).
What are the key properties of 2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 9099925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).