N-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide

C16H21NO2 — CID 86582867

IUPACN-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide
SMILESCCNC(=O)CCC1CCc2ccc3c(c21)CCO3
InChIInChI=1S/C16H21NO2/c1-2-17-15(18)8-6-12-4-3-11-5-7-14-13(16(11)12)9-10-19-14/h5,7,12H,2-4,6,8-10H2,1H3,(H,17,18)
InChIKeyHBAXTCSXSULCEO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.57
Rot. Bonds4

About N-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide

N-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide (PubChem CID 86582867) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide
PubChem CID86582867
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide
SMILESCCNC(=O)CCC1CCc2ccc3c(c21)CCO3
InChIInChI=1S/C16H21NO2/c1-2-17-15(18)8-6-12-4-3-11-5-7-14-13(16(11)12)9-10-19-14/h5,7,12H,2-4,6,8-10H2,1H3,(H,17,18)
InChIKeyHBAXTCSXSULCEO-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide?
The IUPAC name of N-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide (CID 86582867) is N-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide.
What is the SMILES notation for N-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide?
The canonical SMILES for N-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide is CCNC(=O)CCC1CCc2ccc3c(c21)CCO3.
What is the InChIKey of N-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide?
The InChIKey is HBAXTCSXSULCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-17-15(18)8-6-12-4-3-11-5-7-14-13(16(11)12)9-10-19-14/h5,7,12H,2-4,6,8-10H2,1H3,(H,17,18).
What are the key properties of N-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide?
N-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide has a molecular weight of 259.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide is sourced from PubChem (CID 86582867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).