N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide

C20H20N2O2 — CID 49192639

IUPACN-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESO=C(NCCCn1ccc2ccccc21)c1ccc2c(c1)COC2
InChIInChI=1S/C20H20N2O2/c23-20(16-6-7-17-13-24-14-18(17)12-16)21-9-3-10-22-11-8-15-4-1-2-5-19(15)22/h1-2,4-8,11-12H,3,9-10,13-14H2,(H,21,23)
InChIKeyHUENEHGDYXSVBO-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.49
Rot. Bonds5

About N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide

N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 49192639) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID49192639
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESO=C(NCCCn1ccc2ccccc21)c1ccc2c(c1)COC2
InChIInChI=1S/C20H20N2O2/c23-20(16-6-7-17-13-24-14-18(17)12-16)21-9-3-10-22-11-8-15-4-1-2-5-19(15)22/h1-2,4-8,11-12H,3,9-10,13-14H2,(H,21,23)
InChIKeyHUENEHGDYXSVBO-UHFFFAOYSA-N
XLogP3.49
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.49
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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Related Compounds

N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide
CID 24554019
N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide
CID 60567233
N-(4-bromobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106846002
N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55567338
4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 17495544
4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 2489290
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732460
4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide
CID 22237561
N-(2-indol-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 71703482
4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide
CID 51165310

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 49192639) is N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide is O=C(NCCCn1ccc2ccccc21)c1ccc2c(c1)COC2.
What is the InChIKey of N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is HUENEHGDYXSVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-20(16-6-7-17-13-24-14-18(17)12-16)21-9-3-10-22-11-8-15-4-1-2-5-19(15)22/h1-2,4-8,11-12H,3,9-10,13-14H2,(H,21,23).
What are the key properties of N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 49192639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).