5-methoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide

C18H17NO3 — CID 679872

IUPAC5-methoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(-c3ccccc3)c(C(=O)N(C)C)c2c1
InChIInChI=1S/C18H17NO3/c1-19(2)18(20)16-14-11-13(21-3)9-10-15(14)22-17(16)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyCTTUDYDDUBGGSG-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.81
Rot. Bonds3

About 5-methoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide

5-methoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide (PubChem CID 679872) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-methoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
PubChem CID679872
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name5-methoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(-c3ccccc3)c(C(=O)N(C)C)c2c1
InChIInChI=1S/C18H17NO3/c1-19(2)18(20)16-14-11-13(21-3)9-10-15(14)22-17(16)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyCTTUDYDDUBGGSG-UHFFFAOYSA-N
XLogP3.81
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-methoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide (CID 679872) is 5-methoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-methoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-methoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide is COc1ccc2oc(-c3ccccc3)c(C(=O)N(C)C)c2c1.
What is the InChIKey of 5-methoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide?
The InChIKey is CTTUDYDDUBGGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-19(2)18(20)16-14-11-13(21-3)9-10-15(14)22-17(16)12-7-5-4-6-8-12/h4-11H,1-3H3.
What are the key properties of 5-methoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide?
5-methoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 679872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).