N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide

C17H19NO4 — CID 46704833

IUPACN-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc2c(c1)CC(CNC(=O)c1cc(C)oc1C)O2
InChIInChI=1S/C17H19NO4/c1-10-6-15(11(2)21-10)17(19)18-9-14-8-12-7-13(20-3)4-5-16(12)22-14/h4-7,14H,8-9H2,1-3H3,(H,18,19)
InChIKeyHERYNUBQTOTLNT-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.64
Rot. Bonds4

About N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide

N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 46704833) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID46704833
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc2c(c1)CC(CNC(=O)c1cc(C)oc1C)O2
InChIInChI=1S/C17H19NO4/c1-10-6-15(11(2)21-10)17(19)18-9-14-8-12-7-13(20-3)4-5-16(12)22-14/h4-7,14H,8-9H2,1-3H3,(H,18,19)
InChIKeyHERYNUBQTOTLNT-UHFFFAOYSA-N
XLogP2.64
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide (CID 46704833) is N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide is COc1ccc2c(c1)CC(CNC(=O)c1cc(C)oc1C)O2.
What is the InChIKey of N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is HERYNUBQTOTLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-10-6-15(11(2)21-10)17(19)18-9-14-8-12-7-13(20-3)4-5-16(12)22-14/h4-7,14H,8-9H2,1-3H3,(H,18,19).
What are the key properties of N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide?
N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 46704833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).