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

C19H27NO2 — CID 21460962

IUPACN-[2-(5-butyl-1-benzofuran-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1coc2ccc(CCCC)cc12
InChIInChI=1S/C19H27NO2/c1-3-5-7-15-9-10-18-17(13-15)16(14-22-18)11-12-20-19(21)8-6-4-2/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,20,21)
InChIKeyIYNIYCQFTHWJEI-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.62
Rot. Bonds9

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

N-[2-(5-butyl-1-benzofuran-3-yl)ethyl]pentanamide (PubChem CID 21460962) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[2-(5-butyl-1-benzofuran-3-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(5-butyl-1-benzofuran-3-yl)ethyl]pentanamide
PubChem CID21460962
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC NameN-[2-(5-butyl-1-benzofuran-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1coc2ccc(CCCC)cc12
InChIInChI=1S/C19H27NO2/c1-3-5-7-15-9-10-18-17(13-15)16(14-22-18)11-12-20-19(21)8-6-4-2/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,20,21)
InChIKeyIYNIYCQFTHWJEI-UHFFFAOYSA-N
XLogP4.62
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]thiourea
CID 139699439
N-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]henicos-1-en-2-amine
CID 137414303
1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea
CID 21460951
N-[2-(5-cyclopropyl-1-benzofuran-3-yl)ethyl]propanamide
CID 21460979
N-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide
CID 18360692
2-(1-benzofuran-3-yl)-N-pentylacetamide
CID 110485830
2-(5-propyl-1-benzofuran-3-yl)ethanamine
CID 81048863
2-(5-iodo-1-benzofuran-3-yl)ethylcarbamic acid
CID 70922156
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
2-(5-methyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide
CID 18872386
N-[3-(3-chlorophenyl)propyl]pentanamide
CID 10562858
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-butyl-1-benzofuran-3-yl)ethyl]pentanamide?
The IUPAC name of N-[2-(5-butyl-1-benzofuran-3-yl)ethyl]pentanamide (CID 21460962) is N-[2-(5-butyl-1-benzofuran-3-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(5-butyl-1-benzofuran-3-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(5-butyl-1-benzofuran-3-yl)ethyl]pentanamide is CCCCC(=O)NCCc1coc2ccc(CCCC)cc12.
What is the InChIKey of N-[2-(5-butyl-1-benzofuran-3-yl)ethyl]pentanamide?
The InChIKey is IYNIYCQFTHWJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-3-5-7-15-9-10-18-17(13-15)16(14-22-18)11-12-20-19(21)8-6-4-2/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(5-butyl-1-benzofuran-3-yl)ethyl]pentanamide?
N-[2-(5-butyl-1-benzofuran-3-yl)ethyl]pentanamide has a molecular weight of 301.43 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-butyl-1-benzofuran-3-yl)ethyl]pentanamide is sourced from PubChem (CID 21460962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).