3-(3-carbamoylphenyl)-N-(2-methoxyethyl)-1-benzofuran-7-carboxamide

C19H18N2O4 — CID 46948623

IUPAC3-(3-carbamoylphenyl)-N-(2-methoxyethyl)-1-benzofuran-7-carboxamide
SMILESCOCCNC(=O)c1cccc2c(-c3cccc(C(N)=O)c3)coc12
InChIInChI=1S/C19H18N2O4/c1-24-9-8-21-19(23)15-7-3-6-14-16(11-25-17(14)15)12-4-2-5-13(10-12)18(20)22/h2-7,10-11H,8-9H2,1H3,(H2,20,22)(H,21,23)
InChIKeyBGSISDKLXRMITF-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.57
Rot. Bonds6

About 3-(3-carbamoylphenyl)-N-(2-methoxyethyl)-1-benzofuran-7-carboxamide

3-(3-carbamoylphenyl)-N-(2-methoxyethyl)-1-benzofuran-7-carboxamide (PubChem CID 46948623) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-(3-carbamoylphenyl)-N-(2-methoxyethyl)-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name3-(3-carbamoylphenyl)-N-(2-methoxyethyl)-1-benzofuran-7-carboxamide
PubChem CID46948623
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-(3-carbamoylphenyl)-N-(2-methoxyethyl)-1-benzofuran-7-carboxamide
SMILESCOCCNC(=O)c1cccc2c(-c3cccc(C(N)=O)c3)coc12
InChIInChI=1S/C19H18N2O4/c1-24-9-8-21-19(23)15-7-3-6-14-16(11-25-17(14)15)12-4-2-5-13(10-12)18(20)22/h2-7,10-11H,8-9H2,1H3,(H2,20,22)(H,21,23)
InChIKeyBGSISDKLXRMITF-UHFFFAOYSA-N
XLogP2.57
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-carbamoylphenyl)-N-(2-methoxyethyl)-1-benzofuran-7-carboxamide?
The IUPAC name of 3-(3-carbamoylphenyl)-N-(2-methoxyethyl)-1-benzofuran-7-carboxamide (CID 46948623) is 3-(3-carbamoylphenyl)-N-(2-methoxyethyl)-1-benzofuran-7-carboxamide.
What is the SMILES notation for 3-(3-carbamoylphenyl)-N-(2-methoxyethyl)-1-benzofuran-7-carboxamide?
The canonical SMILES for 3-(3-carbamoylphenyl)-N-(2-methoxyethyl)-1-benzofuran-7-carboxamide is COCCNC(=O)c1cccc2c(-c3cccc(C(N)=O)c3)coc12.
What is the InChIKey of 3-(3-carbamoylphenyl)-N-(2-methoxyethyl)-1-benzofuran-7-carboxamide?
The InChIKey is BGSISDKLXRMITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-9-8-21-19(23)15-7-3-6-14-16(11-25-17(14)15)12-4-2-5-13(10-12)18(20)22/h2-7,10-11H,8-9H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 3-(3-carbamoylphenyl)-N-(2-methoxyethyl)-1-benzofuran-7-carboxamide?
3-(3-carbamoylphenyl)-N-(2-methoxyethyl)-1-benzofuran-7-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbamoylphenyl)-N-(2-methoxyethyl)-1-benzofuran-7-carboxamide is sourced from PubChem (CID 46948623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).