2-[3-(dimethylamino)propyl-methylamino]-N-(4-phenoxyphenyl)acetamide

C20H27N3O2 — CID 23653293

IUPAC2-[3-(dimethylamino)propyl-methylamino]-N-(4-phenoxyphenyl)acetamide
SMILESCN(C)CCCN(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H27N3O2/c1-22(2)14-7-15-23(3)16-20(24)21-17-10-12-19(13-11-17)25-18-8-5-4-6-9-18/h4-6,8-13H,7,14-16H2,1-3H3,(H,21,24)
InChIKeyASHHMEGJIZDFLF-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.30
Rot. Bonds9

About 2-[3-(dimethylamino)propyl-methylamino]-N-(4-phenoxyphenyl)acetamide

2-[3-(dimethylamino)propyl-methylamino]-N-(4-phenoxyphenyl)acetamide (PubChem CID 23653293) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-methylamino]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-methylamino]-N-(4-phenoxyphenyl)acetamide
PubChem CID23653293
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-[3-(dimethylamino)propyl-methylamino]-N-(4-phenoxyphenyl)acetamide
SMILESCN(C)CCCN(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H27N3O2/c1-22(2)14-7-15-23(3)16-20(24)21-17-10-12-19(13-11-17)25-18-8-5-4-6-9-18/h4-6,8-13H,7,14-16H2,1-3H3,(H,21,24)
InChIKeyASHHMEGJIZDFLF-UHFFFAOYSA-N
XLogP3.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(dimethylamino)propyl-methylamino]-N-(4-phenoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]-N-(4-phenoxyphenyl)acetamide (CID 23653293) is 2-[3-(dimethylamino)propyl-methylamino]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-methylamino]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(dimethylamino)propyl-methylamino]-N-(4-phenoxyphenyl)acetamide is CN(C)CCCN(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[3-(dimethylamino)propyl-methylamino]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is ASHHMEGJIZDFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-22(2)14-7-15-23(3)16-20(24)21-17-10-12-19(13-11-17)25-18-8-5-4-6-9-18/h4-6,8-13H,7,14-16H2,1-3H3,(H,21,24).
What are the key properties of 2-[3-(dimethylamino)propyl-methylamino]-N-(4-phenoxyphenyl)acetamide?
2-[3-(dimethylamino)propyl-methylamino]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 341.46 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-methylamino]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 23653293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).