N-[1-(2-decyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide

C22H33NO3 — CID 10089870

IUPACN-[1-(2-decyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide
SMILESCCCCCCCCCCc1cc2cc(C(C)N(O)C(C)=O)ccc2o1
InChIInChI=1S/C22H33NO3/c1-4-5-6-7-8-9-10-11-12-21-16-20-15-19(13-14-22(20)26-21)17(2)23(25)18(3)24/h13-17,25H,4-12H2,1-3H3
InChIKeyOGCATCOXTYVDFR-UHFFFAOYSA-N
MW359.51 g/mol
LogP6.41
Rot. Bonds11

About N-[1-(2-decyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide

N-[1-(2-decyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide (PubChem CID 10089870) has the molecular formula C22H33NO3 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[1-(2-decyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[1-(2-decyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide
PubChem CID10089870
Molecular FormulaC22H33NO3
Molecular Weight359.51 g/mol
Exact Mass359.25
IUPAC NameN-[1-(2-decyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide
SMILESCCCCCCCCCCc1cc2cc(C(C)N(O)C(C)=O)ccc2o1
InChIInChI=1S/C22H33NO3/c1-4-5-6-7-8-9-10-11-12-21-16-20-15-19(13-14-22(20)26-21)17(2)23(25)18(3)24/h13-17,25H,4-12H2,1-3H3
InChIKeyOGCATCOXTYVDFR-UHFFFAOYSA-N
XLogP6.41
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-decyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide?
The IUPAC name of N-[1-(2-decyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide (CID 10089870) is N-[1-(2-decyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide.
What is the SMILES notation for N-[1-(2-decyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide?
The canonical SMILES for N-[1-(2-decyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide is CCCCCCCCCCc1cc2cc(C(C)N(O)C(C)=O)ccc2o1.
What is the InChIKey of N-[1-(2-decyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide?
The InChIKey is OGCATCOXTYVDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO3/c1-4-5-6-7-8-9-10-11-12-21-16-20-15-19(13-14-22(20)26-21)17(2)23(25)18(3)24/h13-17,25H,4-12H2,1-3H3.
What are the key properties of N-[1-(2-decyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide?
N-[1-(2-decyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide has a molecular weight of 359.51 g/mol, XLogP of 6.41, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-decyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide is sourced from PubChem (CID 10089870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).