2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

C20H26N2O3 — CID 23607196

IUPAC2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1cccc(OCC(=O)NCC(c2ccco2)N2CCCC2)c1C
InChIInChI=1S/C20H26N2O3/c1-15-7-5-8-18(16(15)2)25-14-20(23)21-13-17(19-9-6-12-24-19)22-10-3-4-11-22/h5-9,12,17H,3-4,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyRDQXYXFSCKXGRA-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.23
Rot. Bonds7

About 2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 23607196) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID23607196
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1cccc(OCC(=O)NCC(c2ccco2)N2CCCC2)c1C
InChIInChI=1S/C20H26N2O3/c1-15-7-5-8-18(16(15)2)25-14-20(23)21-13-17(19-9-6-12-24-19)22-10-3-4-11-22/h5-9,12,17H,3-4,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyRDQXYXFSCKXGRA-UHFFFAOYSA-N
XLogP3.23
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (CID 23607196) is 2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is Cc1cccc(OCC(=O)NCC(c2ccco2)N2CCCC2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is RDQXYXFSCKXGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15-7-5-8-18(16(15)2)25-14-20(23)21-13-17(19-9-6-12-24-19)22-10-3-4-11-22/h5-9,12,17H,3-4,10-11,13-14H2,1-2H3,(H,21,23).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.23, 7 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-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 23607196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).