3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide

C17H22N2O2 — CID 119514675

IUPAC3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c2c(C)c(C(=O)NCC3CCCN3)oc12
InChIInChI=1S/C17H22N2O2/c1-10-6-7-11(2)15-14(10)12(3)16(21-15)17(20)19-9-13-5-4-8-18-13/h6-7,13,18H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyXXCPRPQMTSLYEW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.84
Rot. Bonds3

About 3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide

3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 119514675) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID119514675
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c2c(C)c(C(=O)NCC3CCCN3)oc12
InChIInChI=1S/C17H22N2O2/c1-10-6-7-11(2)15-14(10)12(3)16(21-15)17(20)19-9-13-5-4-8-18-13/h6-7,13,18H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyXXCPRPQMTSLYEW-UHFFFAOYSA-N
XLogP2.84
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 119514675) is 3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1ccc(C)c2c(C)c(C(=O)NCC3CCCN3)oc12.
What is the InChIKey of 3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is XXCPRPQMTSLYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10-6-7-11(2)15-14(10)12(3)16(21-15)17(20)19-9-13-5-4-8-18-13/h6-7,13,18H,4-5,8-9H2,1-3H3,(H,19,20).
What are the key properties of 3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide?
3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119514675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).