3-(methoxymethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide

C23H26N2O3 — CID 9461196

IUPAC3-(methoxymethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)N(C)Cc2ccccc2N2CCCC2)oc2ccccc12
InChIInChI=1S/C23H26N2O3/c1-24(15-17-9-3-5-11-20(17)25-13-7-8-14-25)23(26)22-19(16-27-2)18-10-4-6-12-21(18)28-22/h3-6,9-12H,7-8,13-16H2,1-2H3
InChIKeyBHIIDDVTGYCIQE-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.45
Rot. Bonds6

About 3-(methoxymethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide

3-(methoxymethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 9461196) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID9461196
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name3-(methoxymethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)N(C)Cc2ccccc2N2CCCC2)oc2ccccc12
InChIInChI=1S/C23H26N2O3/c1-24(15-17-9-3-5-11-20(17)25-13-7-8-14-25)23(26)22-19(16-27-2)18-10-4-6-12-21(18)28-22/h3-6,9-12H,7-8,13-16H2,1-2H3
InChIKeyBHIIDDVTGYCIQE-UHFFFAOYSA-N
XLogP4.45
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide (CID 9461196) is 3-(methoxymethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide is COCc1c(C(=O)N(C)Cc2ccccc2N2CCCC2)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is BHIIDDVTGYCIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-24(15-17-9-3-5-11-20(17)25-13-7-8-14-25)23(26)22-19(16-27-2)18-10-4-6-12-21(18)28-22/h3-6,9-12H,7-8,13-16H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9461196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).