N-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide

C16H21NO3 — CID 18360692

IUPACN-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide
SMILESCCCCCCNC(=O)Cc1coc2ccc(O)cc12
InChIInChI=1S/C16H21NO3/c1-2-3-4-5-8-17-16(19)9-12-11-20-15-7-6-13(18)10-14(12)15/h6-7,10-11,18H,2-5,8-9H2,1H3,(H,17,19)
InChIKeySCMWVKADGDUACL-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.38
Rot. Bonds7

About N-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide

N-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide (PubChem CID 18360692) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide
PubChem CID18360692
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide
SMILESCCCCCCNC(=O)Cc1coc2ccc(O)cc12
InChIInChI=1S/C16H21NO3/c1-2-3-4-5-8-17-16(19)9-12-11-20-15-7-6-13(18)10-14(12)15/h6-7,10-11,18H,2-5,8-9H2,1H3,(H,17,19)
InChIKeySCMWVKADGDUACL-UHFFFAOYSA-N
XLogP3.38
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzofuran-3-yl)-N-pentylacetamide
CID 110485830
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]-2-phenylacetamide
CID 15354942
N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide
CID 15131759
methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate
CID 84673872
2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide
CID 11997099
2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 18872336
N-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 29292447
N-[2-(5-butyl-1-benzofuran-3-yl)ethyl]pentanamide
CID 21460962
3-[[2-(5-fluoro-1-benzofuran-3-yl)acetyl]amino]propanoic acid
CID 110488680
2-(5-methyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide
CID 18872386

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide (CID 18360692) is N-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide is CCCCCCNC(=O)Cc1coc2ccc(O)cc12.
What is the InChIKey of N-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide?
The InChIKey is SCMWVKADGDUACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-3-4-5-8-17-16(19)9-12-11-20-15-7-6-13(18)10-14(12)15/h6-7,10-11,18H,2-5,8-9H2,1H3,(H,17,19).
What are the key properties of N-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide?
N-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 18360692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).