2-(2,4-dimethoxyphenyl)-N-[4-(1-phenylethylamino)phenyl]acetamide

C24H26N2O3 — CID 55986921

IUPAC2-(2,4-dimethoxyphenyl)-N-[4-(1-phenylethylamino)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(NC(C)c3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C24H26N2O3/c1-17(18-7-5-4-6-8-18)25-20-10-12-21(13-11-20)26-24(27)15-19-9-14-22(28-2)16-23(19)29-3/h4-14,16-17,25H,15H2,1-3H3,(H,26,27)
InChIKeyXULVSRIQHKYHIH-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.06
Rot. Bonds8

About 2-(2,4-dimethoxyphenyl)-N-[4-(1-phenylethylamino)phenyl]acetamide

2-(2,4-dimethoxyphenyl)-N-[4-(1-phenylethylamino)phenyl]acetamide (PubChem CID 55986921) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[4-(1-phenylethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[4-(1-phenylethylamino)phenyl]acetamide
PubChem CID55986921
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[4-(1-phenylethylamino)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(NC(C)c3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C24H26N2O3/c1-17(18-7-5-4-6-8-18)25-20-10-12-21(13-11-20)26-24(27)15-19-9-14-22(28-2)16-23(19)29-3/h4-14,16-17,25H,15H2,1-3H3,(H,26,27)
InChIKeyXULVSRIQHKYHIH-UHFFFAOYSA-N
XLogP5.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[4-(1-phenylethylamino)phenyl]acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[4-(1-phenylethylamino)phenyl]acetamide (CID 55986921) is 2-(2,4-dimethoxyphenyl)-N-[4-(1-phenylethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[4-(1-phenylethylamino)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[4-(1-phenylethylamino)phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(NC(C)c3ccccc3)cc2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[4-(1-phenylethylamino)phenyl]acetamide?
The InChIKey is XULVSRIQHKYHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-17(18-7-5-4-6-8-18)25-20-10-12-21(13-11-20)26-24(27)15-19-9-14-22(28-2)16-23(19)29-3/h4-14,16-17,25H,15H2,1-3H3,(H,26,27).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[4-(1-phenylethylamino)phenyl]acetamide?
2-(2,4-dimethoxyphenyl)-N-[4-(1-phenylethylamino)phenyl]acetamide has a molecular weight of 390.48 g/mol, XLogP of 5.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[4-(1-phenylethylamino)phenyl]acetamide is sourced from PubChem (CID 55986921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).