2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

C22H24N2O3 — CID 134711727

IUPAC2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESCc1cc(C)c2c(CC(=O)N[C@@H]3COC[C@H]3Cc3ccncc3)coc2c1
InChIInChI=1S/C22H24N2O3/c1-14-7-15(2)22-18(12-27-20(22)8-14)10-21(25)24-19-13-26-11-17(19)9-16-3-5-23-6-4-16/h3-8,12,17,19H,9-11,13H2,1-2H3,(H,24,25)/t17-,19-/m1/s1
InChIKeyQZNDZHBRNOCUFE-IEBWSBKVSA-N
MW364.45 g/mol
LogP3.36
Rot. Bonds5

About 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide (PubChem CID 134711727) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
PubChem CID134711727
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESCc1cc(C)c2c(CC(=O)N[C@@H]3COC[C@H]3Cc3ccncc3)coc2c1
InChIInChI=1S/C22H24N2O3/c1-14-7-15(2)22-18(12-27-20(22)8-14)10-21(25)24-19-13-26-11-17(19)9-16-3-5-23-6-4-16/h3-8,12,17,19H,9-11,13H2,1-2H3,(H,24,25)/t17-,19-/m1/s1
InChIKeyQZNDZHBRNOCUFE-IEBWSBKVSA-N
XLogP3.36
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide (CID 134711727) is 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide is Cc1cc(C)c2c(CC(=O)N[C@@H]3COC[C@H]3Cc3ccncc3)coc2c1.
What is the InChIKey of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The InChIKey is QZNDZHBRNOCUFE-IEBWSBKVSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-7-15(2)22-18(12-27-20(22)8-14)10-21(25)24-19-13-26-11-17(19)9-16-3-5-23-6-4-16/h3-8,12,17,19H,9-11,13H2,1-2H3,(H,24,25)/t17-,19-/m1/s1.
What are the key properties of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 134711727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).