N-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide

C17H23NO2 — CID 69277161

IUPACN-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1CC=C2CC=C3OCCC3=C21
InChIInChI=1S/C17H23NO2/c1-2-3-16(19)18-10-8-13-5-4-12-6-7-15-14(17(12)13)9-11-20-15/h4,7,13H,2-3,5-6,8-11H2,1H3,(H,18,19)
InChIKeyRLRCFVHIMYWONU-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.24
Rot. Bonds5

About N-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide

N-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide (PubChem CID 69277161) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide
PubChem CID69277161
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1CC=C2CC=C3OCCC3=C21
InChIInChI=1S/C17H23NO2/c1-2-3-16(19)18-10-8-13-5-4-12-6-7-15-14(17(12)13)9-11-20-15/h4,7,13H,2-3,5-6,8-11H2,1H3,(H,18,19)
InChIKeyRLRCFVHIMYWONU-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide?
The IUPAC name of N-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide (CID 69277161) is N-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide is CCCC(=O)NCCC1CC=C2CC=C3OCCC3=C21.
What is the InChIKey of N-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide?
The InChIKey is RLRCFVHIMYWONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-3-16(19)18-10-8-13-5-4-12-6-7-15-14(17(12)13)9-11-20-15/h4,7,13H,2-3,5-6,8-11H2,1H3,(H,18,19).
What are the key properties of N-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide?
N-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide has a molecular weight of 273.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide is sourced from PubChem (CID 69277161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).