3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide

C22H24N2O3 — CID 24818957

IUPAC3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(Cc3ccncc3)CC3CCCO3)c(C)c2c1
InChIInChI=1S/C22H24N2O3/c1-15-5-6-20-19(12-15)16(2)21(27-20)22(25)24(14-18-4-3-11-26-18)13-17-7-9-23-10-8-17/h5-10,12,18H,3-4,11,13-14H2,1-2H3
InChIKeyHWDDZLRLWUYZDN-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.27
Rot. Bonds5

About 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide

3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 24818957) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID24818957
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(Cc3ccncc3)CC3CCCO3)c(C)c2c1
InChIInChI=1S/C22H24N2O3/c1-15-5-6-20-19(12-15)16(2)21(27-20)22(25)24(14-18-4-3-11-26-18)13-17-7-9-23-10-8-17/h5-10,12,18H,3-4,11,13-14H2,1-2H3
InChIKeyHWDDZLRLWUYZDN-UHFFFAOYSA-N
XLogP4.27
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide (CID 24818957) is 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)N(Cc3ccncc3)CC3CCCO3)c(C)c2c1.
What is the InChIKey of 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is HWDDZLRLWUYZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-5-6-20-19(12-15)16(2)21(27-20)22(25)24(14-18-4-3-11-26-18)13-17-7-9-23-10-8-17/h5-10,12,18H,3-4,11,13-14H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24818957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).