N-[2-(3,4-diethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide

C21H23NO4 — CID 8781304

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cc3ccccc3o2)cc1OCC
InChIInChI=1S/C21H23NO4/c1-3-24-18-10-9-15(13-19(18)25-4-2)11-12-22-21(23)20-14-16-7-5-6-8-17(16)26-20/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,23)
InChIKeyDTVHKSHMZDNFJN-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.20
Rot. Bonds8

About N-[2-(3,4-diethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 8781304) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID8781304
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cc3ccccc3o2)cc1OCC
InChIInChI=1S/C21H23NO4/c1-3-24-18-10-9-15(13-19(18)25-4-2)11-12-22-21(23)20-14-16-7-5-6-8-17(16)26-20/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,23)
InChIKeyDTVHKSHMZDNFJN-UHFFFAOYSA-N
XLogP4.20
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide (CID 8781304) is N-[2-(3,4-diethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide is CCOc1ccc(CCNC(=O)c2cc3ccccc3o2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is DTVHKSHMZDNFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-3-24-18-10-9-15(13-19(18)25-4-2)11-12-22-21(23)20-14-16-7-5-6-8-17(16)26-20/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8781304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).