3,6,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide

C23H26N2O3 — CID 24794236

IUPAC3,6,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(Cc3ccncc3)CC3CCCO3)oc2c1C
InChIInChI=1S/C23H26N2O3/c1-15-6-7-20-17(3)22(28-21(20)16(15)2)23(26)25(14-19-5-4-12-27-19)13-18-8-10-24-11-9-18/h6-11,19H,4-5,12-14H2,1-3H3
InChIKeyMEBWEAOZZJNLDC-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.57
Rot. Bonds5

About 3,6,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide

3,6,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 24794236) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 3,6,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,6,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID24794236
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name3,6,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(Cc3ccncc3)CC3CCCO3)oc2c1C
InChIInChI=1S/C23H26N2O3/c1-15-6-7-20-17(3)22(28-21(20)16(15)2)23(26)25(14-19-5-4-12-27-19)13-18-8-10-24-11-9-18/h6-11,19H,4-5,12-14H2,1-3H3
InChIKeyMEBWEAOZZJNLDC-UHFFFAOYSA-N
XLogP4.57
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3,6,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide (CID 24794236) is 3,6,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,6,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,6,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)N(Cc3ccncc3)CC3CCCO3)oc2c1C.
What is the InChIKey of 3,6,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is MEBWEAOZZJNLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15-6-7-20-17(3)22(28-21(20)16(15)2)23(26)25(14-19-5-4-12-27-19)13-18-8-10-24-11-9-18/h6-11,19H,4-5,12-14H2,1-3H3.
What are the key properties of 3,6,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
3,6,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24794236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).