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

C20H21NO4 — CID 110703150

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c(C)oc3ccccc23)cc1OC
InChIInChI=1S/C20H21NO4/c1-13-19(15-6-4-5-7-16(15)25-13)20(22)21-11-10-14-8-9-17(23-2)18(12-14)24-3/h4-9,12H,10-11H2,1-3H3,(H,21,22)
InChIKeyUUMHPQZMYVUTPB-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.73
Rot. Bonds6

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 110703150) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide
PubChem CID110703150
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c(C)oc3ccccc23)cc1OC
InChIInChI=1S/C20H21NO4/c1-13-19(15-6-4-5-7-16(15)25-13)20(22)21-11-10-14-8-9-17(23-2)18(12-14)24-3/h4-9,12H,10-11H2,1-3H3,(H,21,22)
InChIKeyUUMHPQZMYVUTPB-UHFFFAOYSA-N
XLogP3.73
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-2-yloxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9245894
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1070606
5-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 22518846
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 32735662
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 30464265
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
CID 35346022
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide
CID 9270076
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine;hydroiodide
CID 111814247
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine
CID 111602935
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54683802
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110298791

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide (CID 110703150) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide is COc1ccc(CCNC(=O)c2c(C)oc3ccccc23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is UUMHPQZMYVUTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13-19(15-6-4-5-7-16(15)25-13)20(22)21-11-10-14-8-9-17(23-2)18(12-14)24-3/h4-9,12H,10-11H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 3.73, 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]-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 110703150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).