N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide

C20H21NO3 — CID 133178584

IUPACN-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCCc1ccc(C(C)NC(=O)c2cc3cccc(OC)c3o2)cc1
InChIInChI=1S/C20H21NO3/c1-4-14-8-10-15(11-9-14)13(2)21-20(22)18-12-16-6-5-7-17(23-3)19(16)24-18/h5-13H,4H2,1-3H3,(H,21,22)
InChIKeyHCEIKZFKXOCWIE-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.49
Rot. Bonds5

About N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide

N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 133178584) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID133178584
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCCc1ccc(C(C)NC(=O)c2cc3cccc(OC)c3o2)cc1
InChIInChI=1S/C20H21NO3/c1-4-14-8-10-15(11-9-14)13(2)21-20(22)18-12-16-6-5-7-17(23-3)19(16)24-18/h5-13H,4H2,1-3H3,(H,21,22)
InChIKeyHCEIKZFKXOCWIE-UHFFFAOYSA-N
XLogP4.49
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-[1-(4-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 53281692
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 94012379
7-methoxy-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 86889000
7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 133165504
7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 11588130
N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide
CID 100795374
7-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 132659671
7-methoxy-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 125042405
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 90613369
7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53281678

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide (CID 133178584) is N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide is CCc1ccc(C(C)NC(=O)c2cc3cccc(OC)c3o2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is HCEIKZFKXOCWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-4-14-8-10-15(11-9-14)13(2)21-20(22)18-12-16-6-5-7-17(23-3)19(16)24-18/h5-13H,4H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 133178584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).