5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide

C21H23NO4 — CID 55789548

IUPAC5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)NCCCOc3cccc(C)c3)c2c1
InChIInChI=1S/C21H23NO4/c1-14-6-4-7-17(12-14)25-11-5-10-22-21(23)20-15(2)26-19-9-8-16(24-3)13-18(19)20/h4,6-9,12-13H,5,10-11H2,1-3H3,(H,22,23)
InChIKeyQZQFIIIQZBNNSY-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.26
Rot. Bonds7

About 5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide

5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide (PubChem CID 55789548) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide
PubChem CID55789548
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)NCCCOc3cccc(C)c3)c2c1
InChIInChI=1S/C21H23NO4/c1-14-6-4-7-17(12-14)25-11-5-10-22-21(23)20-15(2)26-19-9-8-16(24-3)13-18(19)20/h4,6-9,12-13H,5,10-11H2,1-3H3,(H,22,23)
InChIKeyQZQFIIIQZBNNSY-UHFFFAOYSA-N
XLogP4.26
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55793954
4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]butanoic acid
CID 13415654
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
5-methoxy-2-methyl-N-(3-methylphenyl)-1-benzofuran-3-carboxamide
CID 51065526
2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 27039874
3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide
CID 27040449
N-(3-hydroxy-3-phenylpropyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111471937
2-(2,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 46448861
N-cyclohexyl-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 1130073
(E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
CID 27039844
N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065486
5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163379683

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide (CID 55789548) is 5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide is COc1ccc2oc(C)c(C(=O)NCCCOc3cccc(C)c3)c2c1.
What is the InChIKey of 5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide?
The InChIKey is QZQFIIIQZBNNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-14-6-4-7-17(12-14)25-11-5-10-22-21(23)20-15(2)26-19-9-8-16(24-3)13-18(19)20/h4,6-9,12-13H,5,10-11H2,1-3H3,(H,22,23).
What are the key properties of 5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide?
5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 55789548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).