N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide

C20H22N2O2 — CID 139655415

IUPACN-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide
SMILESO=C(NCCCCNCc1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c23-20(16-8-2-1-3-9-16)22-13-7-6-12-21-15-18-14-17-10-4-5-11-19(17)24-18/h1-5,8-11,14,21H,6-7,12-13,15H2,(H,22,23)
InChIKeyIAHSCJILTNTBGS-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.73
Rot. Bonds8

About N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide

N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide (PubChem CID 139655415) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide
PubChem CID139655415
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide
SMILESO=C(NCCCCNCc1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c23-20(16-8-2-1-3-9-16)22-13-7-6-12-21-15-18-14-17-10-4-5-11-19(17)24-18/h1-5,8-11,14,21H,6-7,12-13,15H2,(H,22,23)
InChIKeyIAHSCJILTNTBGS-UHFFFAOYSA-N
XLogP3.73
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.73
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-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide
CID 87018603
N-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide
CID 121020585
N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 28618146
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
2-benzamidoethyl 1-benzofuran-2-carboxylate
CID 569920
N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide
CID 121020588
ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate
CID 53397244
N-(3-iodopropyl)-1-benzofuran-2-carboxamide
CID 114504013
N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine
CID 28657641
4-[(1-benzofuran-2-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79530100
N-(1-benzofuran-2-ylmethyl)-2-ethylsulfinylethanamine
CID 113237590
N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 86994452

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide?
The IUPAC name of N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide (CID 139655415) is N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide?
The canonical SMILES for N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide is O=C(NCCCCNCc1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide?
The InChIKey is IAHSCJILTNTBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20(16-8-2-1-3-9-16)22-13-7-6-12-21-15-18-14-17-10-4-5-11-19(17)24-18/h1-5,8-11,14,21H,6-7,12-13,15H2,(H,22,23).
What are the key properties of N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide?
N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide is sourced from PubChem (CID 139655415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).