N-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

C20H27NO3 — CID 29292447

IUPACN-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
SMILESCCCCOCCCNC(=O)Cc1coc2cc3c(cc12)CCC3
InChIInChI=1S/C20H27NO3/c1-2-3-9-23-10-5-8-21-20(22)13-17-14-24-19-12-16-7-4-6-15(16)11-18(17)19/h11-12,14H,2-10,13H2,1H3,(H,21,22)
InChIKeyMIMQBECWODVNLD-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.79
Rot. Bonds9

About N-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

N-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (PubChem CID 29292447) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
PubChem CID29292447
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC NameN-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
SMILESCCCCOCCCNC(=O)Cc1coc2cc3c(cc12)CCC3
InChIInChI=1S/C20H27NO3/c1-2-3-9-23-10-5-8-21-20(22)13-17-14-24-19-12-16-7-4-6-15(16)11-18(17)19/h11-12,14H,2-10,13H2,1H3,(H,21,22)
InChIKeyMIMQBECWODVNLD-UHFFFAOYSA-N
XLogP3.79
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.79
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

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-ethoxypropyl)acetamide
CID 29292252
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-hydroxypropyl)acetamide
CID 78798042
N-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide
CID 60532623
diethyl 2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanedioate
CID 33242600
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33111138
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 26444960
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51154057
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 27447213
3-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 119237147
N-tert-butyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 9451645
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26713640
N-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 134029690

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The IUPAC name of N-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (CID 29292447) is N-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The canonical SMILES for N-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is CCCCOCCCNC(=O)Cc1coc2cc3c(cc12)CCC3.
What is the InChIKey of N-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The InChIKey is MIMQBECWODVNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-2-3-9-23-10-5-8-21-20(22)13-17-14-24-19-12-16-7-4-6-15(16)11-18(17)19/h11-12,14H,2-10,13H2,1H3,(H,21,22).
What are the key properties of N-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
N-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide has a molecular weight of 329.44 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is sourced from PubChem (CID 29292447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).