N-[3-[benzyl(methyl)amino]propyl]-1-benzofuran-2-carboxamide

C20H22N2O2 — CID 41306319

IUPACN-[3-[benzyl(methyl)amino]propyl]-1-benzofuran-2-carboxamide
SMILESCN(CCCNC(=O)c1cc2ccccc2o1)Cc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-22(15-16-8-3-2-4-9-16)13-7-12-21-20(23)19-14-17-10-5-6-11-18(17)24-19/h2-6,8-11,14H,7,12-13,15H2,1H3,(H,21,23)
InChIKeyJOJSGPZOAORNJM-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.68
Rot. Bonds7

About N-[3-[benzyl(methyl)amino]propyl]-1-benzofuran-2-carboxamide

N-[3-[benzyl(methyl)amino]propyl]-1-benzofuran-2-carboxamide (PubChem CID 41306319) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-1-benzofuran-2-carboxamide
PubChem CID41306319
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-1-benzofuran-2-carboxamide
SMILESCN(CCCNC(=O)c1cc2ccccc2o1)Cc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-22(15-16-8-3-2-4-9-16)13-7-12-21-20(23)19-14-17-10-5-6-11-18(17)24-19/h2-6,8-11,14H,7,12-13,15H2,1H3,(H,21,23)
InChIKeyJOJSGPZOAORNJM-UHFFFAOYSA-N
XLogP3.68
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-benzofuran-2-carboxamide (CID 41306319) is N-[3-[benzyl(methyl)amino]propyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-1-benzofuran-2-carboxamide is CN(CCCNC(=O)c1cc2ccccc2o1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-1-benzofuran-2-carboxamide?
The InChIKey is JOJSGPZOAORNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-22(15-16-8-3-2-4-9-16)13-7-12-21-20(23)19-14-17-10-5-6-11-18(17)24-19/h2-6,8-11,14H,7,12-13,15H2,1H3,(H,21,23).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-1-benzofuran-2-carboxamide?
N-[3-[benzyl(methyl)amino]propyl]-1-benzofuran-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 41306319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).