methoxy-[4-[[2-(methylcarbamoyl)-1-benzofuran-7-yl]oxy]phenyl]-oxoazanium

C17H15N2O5+ — CID 142138832

IUPACmethoxy-[4-[[2-(methylcarbamoyl)-1-benzofuran-7-yl]oxy]phenyl]-oxoazanium
SMILESCNC(=O)c1cc2cccc(Oc3ccc([N+](=O)OC)cc3)c2o1
InChIInChI=1S/C17H14N2O5/c1-18-17(20)15-10-11-4-3-5-14(16(11)24-15)23-13-8-6-12(7-9-13)19(21)22-2/h3-10H,1-2H3/p+1
InChIKeyHTVUGKUKZAATHY-UHFFFAOYSA-O
MW327.32 g/mol
LogP3.56
Rot. Bonds5

About methoxy-[4-[[2-(methylcarbamoyl)-1-benzofuran-7-yl]oxy]phenyl]-oxoazanium

methoxy-[4-[[2-(methylcarbamoyl)-1-benzofuran-7-yl]oxy]phenyl]-oxoazanium (PubChem CID 142138832) has the molecular formula C17H15N2O5+ and a molecular weight of 327.32 g/mol. Its IUPAC name is methoxy-[4-[[2-(methylcarbamoyl)-1-benzofuran-7-yl]oxy]phenyl]-oxoazanium.

Molecular Properties

Compound Namemethoxy-[4-[[2-(methylcarbamoyl)-1-benzofuran-7-yl]oxy]phenyl]-oxoazanium
PubChem CID142138832
Molecular FormulaC17H15N2O5+
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Namemethoxy-[4-[[2-(methylcarbamoyl)-1-benzofuran-7-yl]oxy]phenyl]-oxoazanium
SMILESCNC(=O)c1cc2cccc(Oc3ccc([N+](=O)OC)cc3)c2o1
InChIInChI=1S/C17H14N2O5/c1-18-17(20)15-10-11-4-3-5-14(16(11)24-15)23-13-8-6-12(7-9-13)19(21)22-2/h3-10H,1-2H3/p+1
InChIKeyHTVUGKUKZAATHY-UHFFFAOYSA-O
XLogP3.56
TPSA80.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 11588130
7-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888287
7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53281678
7-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-1-benzofuran-2-carboxamide
CID 58522947
N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 98783372
N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 71785684
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888387
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40888356
7-methoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888378

Frequently Asked Questions

What is the IUPAC name of methoxy-[4-[[2-(methylcarbamoyl)-1-benzofuran-7-yl]oxy]phenyl]-oxoazanium?
The IUPAC name of methoxy-[4-[[2-(methylcarbamoyl)-1-benzofuran-7-yl]oxy]phenyl]-oxoazanium (CID 142138832) is methoxy-[4-[[2-(methylcarbamoyl)-1-benzofuran-7-yl]oxy]phenyl]-oxoazanium.
What is the SMILES notation for methoxy-[4-[[2-(methylcarbamoyl)-1-benzofuran-7-yl]oxy]phenyl]-oxoazanium?
The canonical SMILES for methoxy-[4-[[2-(methylcarbamoyl)-1-benzofuran-7-yl]oxy]phenyl]-oxoazanium is CNC(=O)c1cc2cccc(Oc3ccc([N+](=O)OC)cc3)c2o1.
What is the InChIKey of methoxy-[4-[[2-(methylcarbamoyl)-1-benzofuran-7-yl]oxy]phenyl]-oxoazanium?
The InChIKey is HTVUGKUKZAATHY-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H14N2O5/c1-18-17(20)15-10-11-4-3-5-14(16(11)24-15)23-13-8-6-12(7-9-13)19(21)22-2/h3-10H,1-2H3/p+1.
What are the key properties of methoxy-[4-[[2-(methylcarbamoyl)-1-benzofuran-7-yl]oxy]phenyl]-oxoazanium?
methoxy-[4-[[2-(methylcarbamoyl)-1-benzofuran-7-yl]oxy]phenyl]-oxoazanium has a molecular weight of 327.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[4-[[2-(methylcarbamoyl)-1-benzofuran-7-yl]oxy]phenyl]-oxoazanium is sourced from PubChem (CID 142138832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).