N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-methyl-1-benzofuran-5-carboxamide

C21H22N2O2 — CID 16673325

IUPACN-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-methyl-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)NCCCN3Cc4ccccc4C3)ccc2o1
InChIInChI=1S/C21H22N2O2/c1-15-11-19-12-16(7-8-20(19)25-15)21(24)22-9-4-10-23-13-17-5-2-3-6-18(17)14-23/h2-3,5-8,11-12H,4,9-10,13-14H2,1H3,(H,22,24)
InChIKeySLWURPKUBQBMCI-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.88
Rot. Bonds5

About N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-methyl-1-benzofuran-5-carboxamide

N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-methyl-1-benzofuran-5-carboxamide (PubChem CID 16673325) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-methyl-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-methyl-1-benzofuran-5-carboxamide
PubChem CID16673325
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-methyl-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)NCCCN3Cc4ccccc4C3)ccc2o1
InChIInChI=1S/C21H22N2O2/c1-15-11-19-12-16(7-8-20(19)25-15)21(24)22-9-4-10-23-13-17-5-2-3-6-18(17)14-23/h2-3,5-8,11-12H,4,9-10,13-14H2,1H3,(H,22,24)
InChIKeySLWURPKUBQBMCI-UHFFFAOYSA-N
XLogP3.88
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.88
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-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide
CID 72924667
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-methoxybenzamide
CID 39614213
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-methyl-3-methylsulfonylbenzamide
CID 51117630
2-N,7-N-bis[3-(4-methylpiperazin-1-yl)propyl]-9-oxoxanthene-2,7-dicarboxamide
CID 54338872
N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide
CID 16673326
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(heptan-4-ylamino)benzamide
CID 139437842
3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 18999787
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-fluoro-4-methoxybenzamide
CID 37096433
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-iodobenzamide
CID 37095031
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide
CID 71271945

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-methyl-1-benzofuran-5-carboxamide?
The IUPAC name of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-methyl-1-benzofuran-5-carboxamide (CID 16673325) is N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-methyl-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-methyl-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-methyl-1-benzofuran-5-carboxamide is Cc1cc2cc(C(=O)NCCCN3Cc4ccccc4C3)ccc2o1.
What is the InChIKey of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-methyl-1-benzofuran-5-carboxamide?
The InChIKey is SLWURPKUBQBMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-11-19-12-16(7-8-20(19)25-15)21(24)22-9-4-10-23-13-17-5-2-3-6-18(17)14-23/h2-3,5-8,11-12H,4,9-10,13-14H2,1H3,(H,22,24).
What are the key properties of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-methyl-1-benzofuran-5-carboxamide?
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-methyl-1-benzofuran-5-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-methyl-1-benzofuran-5-carboxamide is sourced from PubChem (CID 16673325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).