N-[2-(5-cyclopropyl-1-benzofuran-3-yl)ethyl]propanamide

C16H19NO2 — CID 21460979

IUPACN-[2-(5-cyclopropyl-1-benzofuran-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1coc2ccc(C3CC3)cc12
InChIInChI=1S/C16H19NO2/c1-2-16(18)17-8-7-13-10-19-15-6-5-12(9-14(13)15)11-3-4-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyBQJSNXZXQAJBPI-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(5-cyclopropyl-1-benzofuran-3-yl)ethyl]propanamide

N-[2-(5-cyclopropyl-1-benzofuran-3-yl)ethyl]propanamide (PubChem CID 21460979) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1-benzofuran-3-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1-benzofuran-3-yl)ethyl]propanamide
PubChem CID21460979
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[2-(5-cyclopropyl-1-benzofuran-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1coc2ccc(C3CC3)cc12
InChIInChI=1S/C16H19NO2/c1-2-16(18)17-8-7-13-10-19-15-6-5-12(9-14(13)15)11-3-4-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyBQJSNXZXQAJBPI-UHFFFAOYSA-N
XLogP3.38
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide
CID 18007934
N-[2-(5-butyl-1-benzofuran-3-yl)ethyl]pentanamide
CID 21460962
methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate
CID 25014882
1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea
CID 21460951
N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]-2-phenylacetamide
CID 15354942
2-(5-iodo-1-benzofuran-3-yl)ethylcarbamic acid
CID 70922156
3-(2-acetamidoethyl)-1-benzofuran-5-carboxylic acid
CID 69410961
2-(5-methyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide
CID 18872386
N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide
CID 174143781
2-chloro-N-[(4-cyclopropyl-2-methylphenyl)methyl]acetamide
CID 166429838
N-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 115159596
N-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide
CID 18360692

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1-benzofuran-3-yl)ethyl]propanamide?
The IUPAC name of N-[2-(5-cyclopropyl-1-benzofuran-3-yl)ethyl]propanamide (CID 21460979) is N-[2-(5-cyclopropyl-1-benzofuran-3-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1-benzofuran-3-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1-benzofuran-3-yl)ethyl]propanamide is CCC(=O)NCCc1coc2ccc(C3CC3)cc12.
What is the InChIKey of N-[2-(5-cyclopropyl-1-benzofuran-3-yl)ethyl]propanamide?
The InChIKey is BQJSNXZXQAJBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-16(18)17-8-7-13-10-19-15-6-5-12(9-14(13)15)11-3-4-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of N-[2-(5-cyclopropyl-1-benzofuran-3-yl)ethyl]propanamide?
N-[2-(5-cyclopropyl-1-benzofuran-3-yl)ethyl]propanamide has a molecular weight of 257.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1-benzofuran-3-yl)ethyl]propanamide is sourced from PubChem (CID 21460979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).