3-methyl-N-(oxolan-2-ylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide

C24H28N2O3 — CID 24817051

IUPAC3-methyl-N-(oxolan-2-ylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)N(Cc3ccncc3)CC3CCCO3)c(C)c2c1
InChIInChI=1S/C24H28N2O3/c1-3-5-18-7-8-22-21(14-18)17(2)23(29-22)24(27)26(16-20-6-4-13-28-20)15-19-9-11-25-12-10-19/h7-12,14,20H,3-6,13,15-16H2,1-2H3
InChIKeySCJRWNWUOOHICR-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.91
Rot. Bonds7

About 3-methyl-N-(oxolan-2-ylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide

3-methyl-N-(oxolan-2-ylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 24817051) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-methyl-N-(oxolan-2-ylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(oxolan-2-ylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID24817051
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name3-methyl-N-(oxolan-2-ylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)N(Cc3ccncc3)CC3CCCO3)c(C)c2c1
InChIInChI=1S/C24H28N2O3/c1-3-5-18-7-8-22-21(14-18)17(2)23(29-22)24(27)26(16-20-6-4-13-28-20)15-19-9-11-25-12-10-19/h7-12,14,20H,3-6,13,15-16H2,1-2H3
InChIKeySCJRWNWUOOHICR-UHFFFAOYSA-N
XLogP4.91
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide (CID 24817051) is 3-methyl-N-(oxolan-2-ylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(oxolan-2-ylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(oxolan-2-ylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide is CCCc1ccc2oc(C(=O)N(Cc3ccncc3)CC3CCCO3)c(C)c2c1.
What is the InChIKey of 3-methyl-N-(oxolan-2-ylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is SCJRWNWUOOHICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-3-5-18-7-8-22-21(14-18)17(2)23(29-22)24(27)26(16-20-6-4-13-28-20)15-19-9-11-25-12-10-19/h7-12,14,20H,3-6,13,15-16H2,1-2H3.
What are the key properties of 3-methyl-N-(oxolan-2-ylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
3-methyl-N-(oxolan-2-ylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxolan-2-ylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24817051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).