N-[5-(1-benzofuran-6-ylmethylamino)-5-oxopentyl]benzamide

C21H22N2O3 — CID 166223578

IUPACN-[5-(1-benzofuran-6-ylmethylamino)-5-oxopentyl]benzamide
SMILESO=C(CCCCNC(=O)c1ccccc1)NCc1ccc2ccoc2c1
InChIInChI=1S/C21H22N2O3/c24-20(23-15-16-9-10-17-11-13-26-19(17)14-16)8-4-5-12-22-21(25)18-6-2-1-3-7-18/h1-3,6-7,9-11,13-14H,4-5,8,12,15H2,(H,22,25)(H,23,24)
InChIKeyDKJSVJMITIJIED-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.65
Rot. Bonds8

About N-[5-(1-benzofuran-6-ylmethylamino)-5-oxopentyl]benzamide

N-[5-(1-benzofuran-6-ylmethylamino)-5-oxopentyl]benzamide (PubChem CID 166223578) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[5-(1-benzofuran-6-ylmethylamino)-5-oxopentyl]benzamide.

Molecular Properties

Compound NameN-[5-(1-benzofuran-6-ylmethylamino)-5-oxopentyl]benzamide
PubChem CID166223578
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[5-(1-benzofuran-6-ylmethylamino)-5-oxopentyl]benzamide
SMILESO=C(CCCCNC(=O)c1ccccc1)NCc1ccc2ccoc2c1
InChIInChI=1S/C21H22N2O3/c24-20(23-15-16-9-10-17-11-13-26-19(17)14-16)8-4-5-12-22-21(25)18-6-2-1-3-7-18/h1-3,6-7,9-11,13-14H,4-5,8,12,15H2,(H,22,25)(H,23,24)
InChIKeyDKJSVJMITIJIED-UHFFFAOYSA-N
XLogP3.65
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzofuran-6-ylmethyl)-4-(2-bromophenoxy)butanamide
CID 166213010
N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide
CID 39753224
N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 46487585
N-[4-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylamino]-4-oxobutyl]benzamide
CID 75394264
N-(1-benzofuran-6-ylmethyl)-2-iodobenzamide
CID 166213000
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
N-(6-hydrazinyl-6-oxohexyl)benzamide
CID 5226635
N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide
CID 46465050
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide
CID 39769052
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide
CID 110838952

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzofuran-6-ylmethylamino)-5-oxopentyl]benzamide?
The IUPAC name of N-[5-(1-benzofuran-6-ylmethylamino)-5-oxopentyl]benzamide (CID 166223578) is N-[5-(1-benzofuran-6-ylmethylamino)-5-oxopentyl]benzamide.
What is the SMILES notation for N-[5-(1-benzofuran-6-ylmethylamino)-5-oxopentyl]benzamide?
The canonical SMILES for N-[5-(1-benzofuran-6-ylmethylamino)-5-oxopentyl]benzamide is O=C(CCCCNC(=O)c1ccccc1)NCc1ccc2ccoc2c1.
What is the InChIKey of N-[5-(1-benzofuran-6-ylmethylamino)-5-oxopentyl]benzamide?
The InChIKey is DKJSVJMITIJIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-20(23-15-16-9-10-17-11-13-26-19(17)14-16)8-4-5-12-22-21(25)18-6-2-1-3-7-18/h1-3,6-7,9-11,13-14H,4-5,8,12,15H2,(H,22,25)(H,23,24).
What are the key properties of N-[5-(1-benzofuran-6-ylmethylamino)-5-oxopentyl]benzamide?
N-[5-(1-benzofuran-6-ylmethylamino)-5-oxopentyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzofuran-6-ylmethylamino)-5-oxopentyl]benzamide is sourced from PubChem (CID 166223578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).