2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide

C17H22N2O2 — CID 119550456

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCc1cc2occ(CC(=O)N(C)C3CCNC3)c2cc1C
InChIInChI=1S/C17H22N2O2/c1-11-6-15-13(10-21-16(15)7-12(11)2)8-17(20)19(3)14-4-5-18-9-14/h6-7,10,14,18H,4-5,8-9H2,1-3H3
InChIKeyLUCVWWHQPNDEEQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.41
Rot. Bonds3

About 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide (PubChem CID 119550456) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
PubChem CID119550456
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCc1cc2occ(CC(=O)N(C)C3CCNC3)c2cc1C
InChIInChI=1S/C17H22N2O2/c1-11-6-15-13(10-21-16(15)7-12(11)2)8-17(20)19(3)14-4-5-18-9-14/h6-7,10,14,18H,4-5,8-9H2,1-3H3
InChIKeyLUCVWWHQPNDEEQ-UHFFFAOYSA-N
XLogP2.41
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119552458
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386294
N-methyl-2-(2-methylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260686
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 35203798
N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 119553626
N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 55027680
2-(3,4-dimethylphenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 62537495
2-(2,5-dimethoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552036
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide
CID 2986395
2-(2-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119553666
2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119550121
N-(3-amino-2,2-dimethylpropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 119652946

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide (CID 119550456) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide is Cc1cc2occ(CC(=O)N(C)C3CCNC3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is LUCVWWHQPNDEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-6-15-13(10-21-16(15)7-12(11)2)8-17(20)19(3)14-4-5-18-9-14/h6-7,10,14,18H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 286.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119550456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).