N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]pentanamide

C16H21NO3 — CID 10265421

IUPACN-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1coc2ccc(OC)cc12
InChIInChI=1S/C16H21NO3/c1-3-4-5-16(18)17-9-8-12-11-20-15-7-6-13(19-2)10-14(12)15/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyFBFSZEXYMGVTCZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.29
Rot. Bonds7

About N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]pentanamide

N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]pentanamide (PubChem CID 10265421) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]pentanamide
PubChem CID10265421
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1coc2ccc(OC)cc12
InChIInChI=1S/C16H21NO3/c1-3-4-5-16(18)17-9-8-12-11-20-15-7-6-13(19-2)10-14(12)15/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyFBFSZEXYMGVTCZ-UHFFFAOYSA-N
XLogP3.29
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]pentanamide?
The IUPAC name of N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]pentanamide (CID 10265421) is N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]pentanamide is CCCCC(=O)NCCc1coc2ccc(OC)cc12.
What is the InChIKey of N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]pentanamide?
The InChIKey is FBFSZEXYMGVTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-4-5-16(18)17-9-8-12-11-20-15-7-6-13(19-2)10-14(12)15/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]pentanamide?
N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]pentanamide has a molecular weight of 275.35 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]pentanamide is sourced from PubChem (CID 10265421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).