N-hexyl-7-methoxy-1-benzofuran-2-carboxamide

C16H21NO3 — CID 78870029

IUPACN-hexyl-7-methoxy-1-benzofuran-2-carboxamide
SMILESCCCCCCNC(=O)c1cc2cccc(OC)c2o1
InChIInChI=1S/C16H21NO3/c1-3-4-5-6-10-17-16(18)14-11-12-8-7-9-13(19-2)15(12)20-14/h7-9,11H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyWOKAJMHNTQKLQT-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.75
Rot. Bonds7

About N-hexyl-7-methoxy-1-benzofuran-2-carboxamide

N-hexyl-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 78870029) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-hexyl-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID78870029
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-hexyl-7-methoxy-1-benzofuran-2-carboxamide
SMILESCCCCCCNC(=O)c1cc2cccc(OC)c2o1
InChIInChI=1S/C16H21NO3/c1-3-4-5-6-10-17-16(18)14-11-12-8-7-9-13(19-2)15(12)20-14/h7-9,11H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyWOKAJMHNTQKLQT-UHFFFAOYSA-N
XLogP3.75
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 99809958
N-[3-(4-benzylpiperazin-1-yl)propyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78866653
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
7-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 121083749
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95367182
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78865957
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78878860
7-methoxy-N-[2-(oxan-4-ylsulfanyl)ethyl]-1-benzofuran-2-carboxamide
CID 86265197
7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 78867681
7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53281678
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 90613369

Frequently Asked Questions

What is the IUPAC name of N-hexyl-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-hexyl-7-methoxy-1-benzofuran-2-carboxamide (CID 78870029) is N-hexyl-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-hexyl-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-hexyl-7-methoxy-1-benzofuran-2-carboxamide is CCCCCCNC(=O)c1cc2cccc(OC)c2o1.
What is the InChIKey of N-hexyl-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is WOKAJMHNTQKLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-4-5-6-10-17-16(18)14-11-12-8-7-9-13(19-2)15(12)20-14/h7-9,11H,3-6,10H2,1-2H3,(H,17,18).
What are the key properties of N-hexyl-7-methoxy-1-benzofuran-2-carboxamide?
N-hexyl-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 78870029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).