2-[methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]amino]-N-(4-methylphenyl)acetamide

C24H25N3O3 — CID 2438612

IUPAC2-[methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C24H25N3O3/c1-18-12-14-19(15-13-18)25-23(28)16-27(2)17-24(29)26-21-10-6-7-11-22(21)30-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyHCJKMPHYMPKDND-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.30
Rot. Bonds8

About 2-[methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]amino]-N-(4-methylphenyl)acetamide

2-[methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 2438612) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID2438612
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-[methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C24H25N3O3/c1-18-12-14-19(15-13-18)25-23(28)16-27(2)17-24(29)26-21-10-6-7-11-22(21)30-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyHCJKMPHYMPKDND-UHFFFAOYSA-N
XLogP4.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]amino]-N-(4-methylphenyl)acetamide (CID 2438612) is 2-[methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of 2-[methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is HCJKMPHYMPKDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-18-12-14-19(15-13-18)25-23(28)16-27(2)17-24(29)26-21-10-6-7-11-22(21)30-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 2-[methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 403.48 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2438612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).