N-hex-5-ynyl-1-benzofuran-3-carboxamide

C15H15NO2 — CID 103757829

IUPACN-hex-5-ynyl-1-benzofuran-3-carboxamide
SMILESC#CCCCCNC(=O)c1coc2ccccc12
InChIInChI=1S/C15H15NO2/c1-2-3-4-7-10-16-15(17)13-11-18-14-9-6-5-8-12(13)14/h1,5-6,8-9,11H,3-4,7,10H2,(H,16,17)
InChIKeyJXWMJXMECBGJHN-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.97
Rot. Bonds5

About N-hex-5-ynyl-1-benzofuran-3-carboxamide

N-hex-5-ynyl-1-benzofuran-3-carboxamide (PubChem CID 103757829) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-hex-5-ynyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-hex-5-ynyl-1-benzofuran-3-carboxamide
PubChem CID103757829
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC NameN-hex-5-ynyl-1-benzofuran-3-carboxamide
SMILESC#CCCCCNC(=O)c1coc2ccccc12
InChIInChI=1S/C15H15NO2/c1-2-3-4-7-10-16-15(17)13-11-18-14-9-6-5-8-12(13)14/h1,5-6,8-9,11H,3-4,7,10H2,(H,16,17)
InChIKeyJXWMJXMECBGJHN-UHFFFAOYSA-N
XLogP2.97
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hex-5-ynyl-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hex-5-ynylnaphthalene-1-carboxamide
CID 103757850
N-(4-bromopentyl)-1-benzofuran-3-carboxamide
CID 106131215
N-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide
CID 106307933
N-hex-5-ynyl-2-iodobenzamide
CID 103758134
N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide
CID 106157815
N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide
CID 78959159
4-(1-benzofuran-3-carbonylamino)-2-methylbutanoic acid
CID 80538669
N-phenacyl-1-benzofuran-3-carboxamide
CID 64991447
2-iodo-N-pent-4-ynylbenzamide
CID 103709110
3-amino-N-hex-5-ynyl-2-hydroxybenzamide
CID 114158327
N-[[4-(bromomethyl)phenyl]methyl]-1-benzofuran-3-carboxamide
CID 107233737
3-(1-benzofuran-3-carbonylamino)-2-hydroxypropanoic acid
CID 66165805

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-hex-5-ynyl-1-benzofuran-3-carboxamide (CID 103757829) is N-hex-5-ynyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-hex-5-ynyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-hex-5-ynyl-1-benzofuran-3-carboxamide is C#CCCCCNC(=O)c1coc2ccccc12.
What is the InChIKey of N-hex-5-ynyl-1-benzofuran-3-carboxamide?
The InChIKey is JXWMJXMECBGJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-3-4-7-10-16-15(17)13-11-18-14-9-6-5-8-12(13)14/h1,5-6,8-9,11H,3-4,7,10H2,(H,16,17).
What are the key properties of N-hex-5-ynyl-1-benzofuran-3-carboxamide?
N-hex-5-ynyl-1-benzofuran-3-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 103757829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).