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

C19H19NO4 — CID 725650

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3ccccc3o2)cc1OC
InChIInChI=1S/C19H19NO4/c1-22-16-8-7-13(11-17(16)23-2)9-10-20-19(21)18-12-14-5-3-4-6-15(14)24-18/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)
InChIKeyICGLDNFIXLBXNV-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.42
Rot. Bonds6

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 725650) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID725650
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3ccccc3o2)cc1OC
InChIInChI=1S/C19H19NO4/c1-22-16-8-7-13(11-17(16)23-2)9-10-20-19(21)18-12-14-5-3-4-6-15(14)24-18/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)
InChIKeyICGLDNFIXLBXNV-UHFFFAOYSA-N
XLogP3.42
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide (CID 725650) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide is COc1ccc(CCNC(=O)c2cc3ccccc3o2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is ICGLDNFIXLBXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-22-16-8-7-13(11-17(16)23-2)9-10-20-19(21)18-12-14-5-3-4-6-15(14)24-18/h3-8,11-12H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 725650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).