7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide

C20H21NO4 — CID 53281678

IUPAC7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3ccc(OC(C)C)cc3)oc12
InChIInChI=1S/C20H21NO4/c1-13(2)24-16-9-7-14(8-10-16)12-21-20(22)18-11-15-5-4-6-17(23-3)19(15)25-18/h4-11,13H,12H2,1-3H3,(H,21,22)
InChIKeyBDYBJZFSWMGHJY-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.16
Rot. Bonds6

About 7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide

7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 53281678) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID53281678
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3ccc(OC(C)C)cc3)oc12
InChIInChI=1S/C20H21NO4/c1-13(2)24-16-9-7-14(8-10-16)12-21-20(22)18-11-15-5-4-6-17(23-3)19(15)25-18/h4-11,13H,12H2,1-3H3,(H,21,22)
InChIKeyBDYBJZFSWMGHJY-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 121083749
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78900189
7-methoxy-N-(2-propan-2-yloxyphenyl)-1-benzofuran-2-carboxamide
CID 53281729
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95367182
N-hexyl-7-methoxy-1-benzofuran-2-carboxamide
CID 78870029
N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 133178584
7-methoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 3842687
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 90613369
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722835
7-methoxy-N-[(4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 124505008
7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 39709859

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide (CID 53281678) is 7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCc3ccc(OC(C)C)cc3)oc12.
What is the InChIKey of 7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is BDYBJZFSWMGHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13(2)24-16-9-7-14(8-10-16)12-21-20(22)18-11-15-5-4-6-17(23-3)19(15)25-18/h4-11,13H,12H2,1-3H3,(H,21,22).
What are the key properties of 7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 53281678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).