2-(2,3-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide

C24H31N3O3 — CID 646990

IUPAC2-(2,3-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c1C
InChIInChI=1S/C24H31N3O3/c1-17(2)24(29)27-14-12-26(13-15-27)21-10-6-5-9-20(21)25-23(28)16-30-22-11-7-8-18(3)19(22)4/h5-11,17H,12-16H2,1-4H3,(H,25,28)
InChIKeyPZOHVUKEDIBVMX-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.63
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide

2-(2,3-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide (PubChem CID 646990) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
PubChem CID646990
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-(2,3-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c1C
InChIInChI=1S/C24H31N3O3/c1-17(2)24(29)27-14-12-26(13-15-27)21-10-6-5-9-20(21)25-23(28)16-30-22-11-7-8-18(3)19(22)4/h5-11,17H,12-16H2,1-4H3,(H,25,28)
InChIKeyPZOHVUKEDIBVMX-UHFFFAOYSA-N
XLogP3.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]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-(2,3-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide (CID 646990) is 2-(2,3-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide is Cc1cccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide?
The InChIKey is PZOHVUKEDIBVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-17(2)24(29)27-14-12-26(13-15-27)21-10-6-5-9-20(21)25-23(28)16-30-22-11-7-8-18(3)19(22)4/h5-11,17H,12-16H2,1-4H3,(H,25,28).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide?
2-(2,3-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 646990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).