2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide

C14H20N2O3 — CID 51224148

IUPAC2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(C2CCCN2CC(N)=O)c(OC)c1
InChIInChI=1S/C14H20N2O3/c1-18-10-5-6-11(13(8-10)19-2)12-4-3-7-16(12)9-14(15)17/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,15,17)
InChIKeyRIHAVEVJGRBZLM-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.33
Rot. Bonds5

About 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide

2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide (PubChem CID 51224148) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
PubChem CID51224148
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(C2CCCN2CC(N)=O)c(OC)c1
InChIInChI=1S/C14H20N2O3/c1-18-10-5-6-11(13(8-10)19-2)12-4-3-7-16(12)9-14(15)17/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,15,17)
InChIKeyRIHAVEVJGRBZLM-UHFFFAOYSA-N
XLogP1.33
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide (CID 51224148) is 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide is COc1ccc(C2CCCN2CC(N)=O)c(OC)c1.
What is the InChIKey of 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is RIHAVEVJGRBZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-10-5-6-11(13(8-10)19-2)12-4-3-7-16(12)9-14(15)17/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,15,17).
What are the key properties of 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 51224148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).