7-N-methyl-5-N-(oxolan-3-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide

C21H22N2O4 — CID 155119561

IUPAC7-N-methyl-5-N-(oxolan-3-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCOC2)cc2c1OCC2c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-22-21(25)17-10-14(20(24)23-15-7-8-26-11-15)9-16-18(12-27-19(16)17)13-5-3-2-4-6-13/h2-6,9-10,15,18H,7-8,11-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyYLOBUGGRHFMTSR-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.09
Rot. Bonds4

About 7-N-methyl-5-N-(oxolan-3-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide

7-N-methyl-5-N-(oxolan-3-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide (PubChem CID 155119561) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 7-N-methyl-5-N-(oxolan-3-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-methyl-5-N-(oxolan-3-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
PubChem CID155119561
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name7-N-methyl-5-N-(oxolan-3-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCOC2)cc2c1OCC2c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-22-21(25)17-10-14(20(24)23-15-7-8-26-11-15)9-16-18(12-27-19(16)17)13-5-3-2-4-6-13/h2-6,9-10,15,18H,7-8,11-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyYLOBUGGRHFMTSR-UHFFFAOYSA-N
XLogP2.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-N-methyl-5-N-(oxolan-3-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The IUPAC name of 7-N-methyl-5-N-(oxolan-3-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide (CID 155119561) is 7-N-methyl-5-N-(oxolan-3-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide.
What is the SMILES notation for 7-N-methyl-5-N-(oxolan-3-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The canonical SMILES for 7-N-methyl-5-N-(oxolan-3-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCOC2)cc2c1OCC2c1ccccc1.
What is the InChIKey of 7-N-methyl-5-N-(oxolan-3-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The InChIKey is YLOBUGGRHFMTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-22-21(25)17-10-14(20(24)23-15-7-8-26-11-15)9-16-18(12-27-19(16)17)13-5-3-2-4-6-13/h2-6,9-10,15,18H,7-8,11-12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 7-N-methyl-5-N-(oxolan-3-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
7-N-methyl-5-N-(oxolan-3-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-methyl-5-N-(oxolan-3-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide is sourced from PubChem (CID 155119561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).