N-[2-(5-propyl-1-benzofuran-3-yl)ethyl]acetamide

C15H19NO2 — CID 21460931

IUPACN-[2-(5-propyl-1-benzofuran-3-yl)ethyl]acetamide
SMILESCCCc1ccc2occ(CCNC(C)=O)c2c1
InChIInChI=1S/C15H19NO2/c1-3-4-12-5-6-15-14(9-12)13(10-18-15)7-8-16-11(2)17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyPYVHFLBHYDIFFT-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.06
Rot. Bonds5

About N-[2-(5-propyl-1-benzofuran-3-yl)ethyl]acetamide

N-[2-(5-propyl-1-benzofuran-3-yl)ethyl]acetamide (PubChem CID 21460931) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[2-(5-propyl-1-benzofuran-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-propyl-1-benzofuran-3-yl)ethyl]acetamide
PubChem CID21460931
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[2-(5-propyl-1-benzofuran-3-yl)ethyl]acetamide
SMILESCCCc1ccc2occ(CCNC(C)=O)c2c1
InChIInChI=1S/C15H19NO2/c1-3-4-12-5-6-15-14(9-12)13(10-18-15)7-8-16-11(2)17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyPYVHFLBHYDIFFT-UHFFFAOYSA-N
XLogP3.06
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

M-3258
CID 138319683
S24014
CID 9998187
N-(2-(5-methoxybenzofuran-3-yl)ethyl)acetamide
CID 10059864
5-(2-Aminopropyl)benzofuran
CID 9837232
7,8,9,10-tetrahydro-6H-furo[2,3-i][3]benzazepine
CID 44451369
7,8,9,10-tetrahydro-6H-benzofuro[6,7-d]azepine
CID 44451373
N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]acetamide
CID 9834952
N-[2-(5-Methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-acetamide
CID 9839629
N-[2-(7-{4-[3-(2-acetylaminoethyl)benzofuran-5-yloxy]butoxy}naphthalen-1-yl)ethyl]-acetamide
CID 9870683
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acrylamide
CID 9884156
N-{2-[2-(3-Fluoro-benzyl)-5-methoxy-benzofuran-3-yl]-ethyl}-acetamide
CID 9884406
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acetamide
CID 9927219

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-propyl-1-benzofuran-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-propyl-1-benzofuran-3-yl)ethyl]acetamide (CID 21460931) is N-[2-(5-propyl-1-benzofuran-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-propyl-1-benzofuran-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-propyl-1-benzofuran-3-yl)ethyl]acetamide is CCCc1ccc2occ(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(5-propyl-1-benzofuran-3-yl)ethyl]acetamide?
The InChIKey is PYVHFLBHYDIFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-4-12-5-6-15-14(9-12)13(10-18-15)7-8-16-11(2)17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(5-propyl-1-benzofuran-3-yl)ethyl]acetamide?
N-[2-(5-propyl-1-benzofuran-3-yl)ethyl]acetamide has a molecular weight of 245.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-propyl-1-benzofuran-3-yl)ethyl]acetamide is sourced from PubChem (CID 21460931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).