3-(3-carbamoylphenyl)-N-(3-methoxypropyl)-1-benzofuran-7-carboxamide

C20H20N2O4 — CID 46943692

IUPAC3-(3-carbamoylphenyl)-N-(3-methoxypropyl)-1-benzofuran-7-carboxamide
SMILESCOCCCNC(=O)c1cccc2c(-c3cccc(C(N)=O)c3)coc12
InChIInChI=1S/C20H20N2O4/c1-25-10-4-9-22-20(24)16-8-3-7-15-17(12-26-18(15)16)13-5-2-6-14(11-13)19(21)23/h2-3,5-8,11-12H,4,9-10H2,1H3,(H2,21,23)(H,22,24)
InChIKeyWTHPMFVFXLROJQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.96
Rot. Bonds7

About 3-(3-carbamoylphenyl)-N-(3-methoxypropyl)-1-benzofuran-7-carboxamide

3-(3-carbamoylphenyl)-N-(3-methoxypropyl)-1-benzofuran-7-carboxamide (PubChem CID 46943692) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-(3-carbamoylphenyl)-N-(3-methoxypropyl)-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name3-(3-carbamoylphenyl)-N-(3-methoxypropyl)-1-benzofuran-7-carboxamide
PubChem CID46943692
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name3-(3-carbamoylphenyl)-N-(3-methoxypropyl)-1-benzofuran-7-carboxamide
SMILESCOCCCNC(=O)c1cccc2c(-c3cccc(C(N)=O)c3)coc12
InChIInChI=1S/C20H20N2O4/c1-25-10-4-9-22-20(24)16-8-3-7-15-17(12-26-18(15)16)13-5-2-6-14(11-13)19(21)23/h2-3,5-8,11-12H,4,9-10H2,1H3,(H2,21,23)(H,22,24)
InChIKeyWTHPMFVFXLROJQ-UHFFFAOYSA-N
XLogP2.96
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.96
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-(3-methoxypropyl)-1-benzofuran-7-carboxamide?
The IUPAC name of 3-(3-carbamoylphenyl)-N-(3-methoxypropyl)-1-benzofuran-7-carboxamide (CID 46943692) is 3-(3-carbamoylphenyl)-N-(3-methoxypropyl)-1-benzofuran-7-carboxamide.
What is the SMILES notation for 3-(3-carbamoylphenyl)-N-(3-methoxypropyl)-1-benzofuran-7-carboxamide?
The canonical SMILES for 3-(3-carbamoylphenyl)-N-(3-methoxypropyl)-1-benzofuran-7-carboxamide is COCCCNC(=O)c1cccc2c(-c3cccc(C(N)=O)c3)coc12.
What is the InChIKey of 3-(3-carbamoylphenyl)-N-(3-methoxypropyl)-1-benzofuran-7-carboxamide?
The InChIKey is WTHPMFVFXLROJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-25-10-4-9-22-20(24)16-8-3-7-15-17(12-26-18(15)16)13-5-2-6-14(11-13)19(21)23/h2-3,5-8,11-12H,4,9-10H2,1H3,(H2,21,23)(H,22,24).
What are the key properties of 3-(3-carbamoylphenyl)-N-(3-methoxypropyl)-1-benzofuran-7-carboxamide?
3-(3-carbamoylphenyl)-N-(3-methoxypropyl)-1-benzofuran-7-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbamoylphenyl)-N-(3-methoxypropyl)-1-benzofuran-7-carboxamide is sourced from PubChem (CID 46943692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).