2-[3-[(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)oxy]pyrrolidin-1-yl]acetamide

C16H23N3O3 — CID 129284544

IUPAC2-[3-[(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)oxy]pyrrolidin-1-yl]acetamide
SMILESCC1(C)Cc2cc(N)c(OC3CCN(CC(N)=O)C3)cc2O1
InChIInChI=1S/C16H23N3O3/c1-16(2)7-10-5-12(17)14(6-13(10)22-16)21-11-3-4-19(8-11)9-15(18)20/h5-6,11H,3-4,7-9,17H2,1-2H3,(H2,18,20)
InChIKeyPQKIMPPSMAKKKR-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.92
Rot. Bonds4

About 2-[3-[(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)oxy]pyrrolidin-1-yl]acetamide

2-[3-[(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)oxy]pyrrolidin-1-yl]acetamide (PubChem CID 129284544) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[3-[(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)oxy]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)oxy]pyrrolidin-1-yl]acetamide
PubChem CID129284544
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[3-[(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)oxy]pyrrolidin-1-yl]acetamide
SMILESCC1(C)Cc2cc(N)c(OC3CCN(CC(N)=O)C3)cc2O1
InChIInChI=1S/C16H23N3O3/c1-16(2)7-10-5-12(17)14(6-13(10)22-16)21-11-3-4-19(8-11)9-15(18)20/h5-6,11H,3-4,7-9,17H2,1-2H3,(H2,18,20)
InChIKeyPQKIMPPSMAKKKR-UHFFFAOYSA-N
XLogP0.92
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[3-[(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)oxy]pyrrolidin-1-yl]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-[(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)oxy]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[3-[(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)oxy]pyrrolidin-1-yl]acetamide (CID 129284544) is 2-[3-[(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)oxy]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)oxy]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)oxy]pyrrolidin-1-yl]acetamide is CC1(C)Cc2cc(N)c(OC3CCN(CC(N)=O)C3)cc2O1.
What is the InChIKey of 2-[3-[(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)oxy]pyrrolidin-1-yl]acetamide?
The InChIKey is PQKIMPPSMAKKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2)7-10-5-12(17)14(6-13(10)22-16)21-11-3-4-19(8-11)9-15(18)20/h5-6,11H,3-4,7-9,17H2,1-2H3,(H2,18,20).
What are the key properties of 2-[3-[(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)oxy]pyrrolidin-1-yl]acetamide?
2-[3-[(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)oxy]pyrrolidin-1-yl]acetamide has a molecular weight of 305.38 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)oxy]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 129284544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).