N-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide

C26H24N2O4 — CID 91471027

IUPACN-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NOCCNC(=O)c1oc2ccccc2c1CCc1ccccc1)c1ccccc1
InChIInChI=1S/C26H24N2O4/c29-25(20-11-5-2-6-12-20)28-31-18-17-27-26(30)24-22(16-15-19-9-3-1-4-10-19)21-13-7-8-14-23(21)32-24/h1-14H,15-18H2,(H,27,30)(H,28,29)
InChIKeyZXOKJPRIZCMGAG-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.31
Rot. Bonds9

About N-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide

N-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide (PubChem CID 91471027) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide
PubChem CID91471027
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC NameN-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NOCCNC(=O)c1oc2ccccc2c1CCc1ccccc1)c1ccccc1
InChIInChI=1S/C26H24N2O4/c29-25(20-11-5-2-6-12-20)28-31-18-17-27-26(30)24-22(16-15-19-9-3-1-4-10-19)21-13-7-8-14-23(21)32-24/h1-14H,15-18H2,(H,27,30)(H,28,29)
InChIKeyZXOKJPRIZCMGAG-UHFFFAOYSA-N
XLogP4.31
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 42646722
3-(cyclohexylsulfanylmethyl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 7945777
N'-benzoyl-3-(benzylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 8881063
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
CID 11749858
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide;methane
CID 159274996
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide
CID 89213471
3-[[[2-(hydroxyamino)-2-oxoethyl]amino]methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
CID 87108320
N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18204711
2-benzamidoethyl 1-benzofuran-2-carboxylate
CID 569920
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
2-oxo-4-(2-phenylethyl)chromene-3-carboxylic acid
CID 101228939

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide (CID 91471027) is N-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide is O=C(NOCCNC(=O)c1oc2ccccc2c1CCc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZXOKJPRIZCMGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c29-25(20-11-5-2-6-12-20)28-31-18-17-27-26(30)24-22(16-15-19-9-3-1-4-10-19)21-13-7-8-14-23(21)32-24/h1-14H,15-18H2,(H,27,30)(H,28,29).
What are the key properties of N-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide?
N-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91471027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).