N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-(pyrazol-1-ylmethyl)benzamide

C23H25N3O3 — CID 39284279

IUPACN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCC1(C)Cc2cccc(OCCNC(=O)c3ccc(Cn4cccn4)cc3)c2O1
InChIInChI=1S/C23H25N3O3/c1-23(2)15-19-5-3-6-20(21(19)29-23)28-14-12-24-22(27)18-9-7-17(8-10-18)16-26-13-4-11-25-26/h3-11,13H,12,14-16H2,1-2H3,(H,24,27)
InChIKeyOIXJCFNQJRWXOH-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.45
Rot. Bonds7

About N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-(pyrazol-1-ylmethyl)benzamide

N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 39284279) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID39284279
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCC1(C)Cc2cccc(OCCNC(=O)c3ccc(Cn4cccn4)cc3)c2O1
InChIInChI=1S/C23H25N3O3/c1-23(2)15-19-5-3-6-20(21(19)29-23)28-14-12-24-22(27)18-9-7-17(8-10-18)16-26-13-4-11-25-26/h3-11,13H,12,14-16H2,1-2H3,(H,24,27)
InChIKeyOIXJCFNQJRWXOH-UHFFFAOYSA-N
XLogP3.45
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(acetamidomethyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide
CID 39284743
3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide
CID 31825043
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 31824874
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39285294
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55852614
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(methoxymethyl)benzamide
CID 39283875
3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
CID 47031231
N-[(2-chlorophenyl)methyl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 26842014
N-[2-(cyclohexen-1-yl)ethyl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 8552103
N-[2-(2-chlorophenoxy)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 4918924
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclohexanecarboxamide
CID 39285980
N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 8552006

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-(pyrazol-1-ylmethyl)benzamide (CID 39284279) is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-(pyrazol-1-ylmethyl)benzamide is CC1(C)Cc2cccc(OCCNC(=O)c3ccc(Cn4cccn4)cc3)c2O1.
What is the InChIKey of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is OIXJCFNQJRWXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-23(2)15-19-5-3-6-20(21(19)29-23)28-14-12-24-22(27)18-9-7-17(8-10-18)16-26-13-4-11-25-26/h3-11,13H,12,14-16H2,1-2H3,(H,24,27).
What are the key properties of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-(pyrazol-1-ylmethyl)benzamide?
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 391.47 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 39284279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).