5-amino-N-octyl-1-benzofuran-2-carboxamide

C17H24N2O2 — CID 115565943

IUPAC5-amino-N-octyl-1-benzofuran-2-carboxamide
SMILESCCCCCCCCNC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C17H24N2O2/c1-2-3-4-5-6-7-10-19-17(20)16-12-13-11-14(18)8-9-15(13)21-16/h8-9,11-12H,2-7,10,18H2,1H3,(H,19,20)
InChIKeyHBHIGXWEQWCOEM-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.11
Rot. Bonds8

About 5-amino-N-octyl-1-benzofuran-2-carboxamide

5-amino-N-octyl-1-benzofuran-2-carboxamide (PubChem CID 115565943) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-amino-N-octyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-octyl-1-benzofuran-2-carboxamide
PubChem CID115565943
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name5-amino-N-octyl-1-benzofuran-2-carboxamide
SMILESCCCCCCCCNC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C17H24N2O2/c1-2-3-4-5-6-7-10-19-17(20)16-12-13-11-14(18)8-9-15(13)21-16/h8-9,11-12H,2-7,10,18H2,1H3,(H,19,20)
InChIKeyHBHIGXWEQWCOEM-UHFFFAOYSA-N
XLogP4.11
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-pentyl-1-benzofuran-2-carboxamide
CID 19225268
5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide
CID 61095225
tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate
CID 104932643
N-(heptylcarbamoyl)-1-benzofuran-2-carboxamide
CID 59786869
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
2,4-diamino-N-hexylbenzamide
CID 61111728
5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102903170
5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 64571210
5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide
CID 61102723
5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide
CID 61459996
5-amino-N-benzyl-1-benzofuran-2-carboxamide
CID 61089712
5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide
CID 61089879

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-octyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-octyl-1-benzofuran-2-carboxamide (CID 115565943) is 5-amino-N-octyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-octyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-octyl-1-benzofuran-2-carboxamide is CCCCCCCCNC(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of 5-amino-N-octyl-1-benzofuran-2-carboxamide?
The InChIKey is HBHIGXWEQWCOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-3-4-5-6-7-10-19-17(20)16-12-13-11-14(18)8-9-15(13)21-16/h8-9,11-12H,2-7,10,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-octyl-1-benzofuran-2-carboxamide?
5-amino-N-octyl-1-benzofuran-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-octyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 115565943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).