N-(4-dibenzofuran-4-ylbut-3-enyl)acetamide

C18H17NO2 — CID 170489640

IUPACN-(4-dibenzofuran-4-ylbut-3-enyl)acetamide
SMILESCC(=O)NCCC=Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C18H17NO2/c1-13(20)19-12-5-4-7-14-8-6-10-16-15-9-2-3-11-17(15)21-18(14)16/h2-4,6-11H,5,12H2,1H3,(H,19,20)
InChIKeyFIRWHXIFXUVFNY-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.13
Rot. Bonds4

About N-(4-dibenzofuran-4-ylbut-3-enyl)acetamide

N-(4-dibenzofuran-4-ylbut-3-enyl)acetamide (PubChem CID 170489640) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylbut-3-enyl)acetamide.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylbut-3-enyl)acetamide
PubChem CID170489640
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-(4-dibenzofuran-4-ylbut-3-enyl)acetamide
SMILESCC(=O)NCCC=Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C18H17NO2/c1-13(20)19-12-5-4-7-14-8-6-10-16-15-9-2-3-11-17(15)21-18(14)16/h2-4,6-11H,5,12H2,1H3,(H,19,20)
InChIKeyFIRWHXIFXUVFNY-UHFFFAOYSA-N
XLogP4.13
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylbut-3-enyl)acetamide?
The IUPAC name of N-(4-dibenzofuran-4-ylbut-3-enyl)acetamide (CID 170489640) is N-(4-dibenzofuran-4-ylbut-3-enyl)acetamide.
What is the SMILES notation for N-(4-dibenzofuran-4-ylbut-3-enyl)acetamide?
The canonical SMILES for N-(4-dibenzofuran-4-ylbut-3-enyl)acetamide is CC(=O)NCCC=Cc1cccc2c1oc1ccccc12.
What is the InChIKey of N-(4-dibenzofuran-4-ylbut-3-enyl)acetamide?
The InChIKey is FIRWHXIFXUVFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13(20)19-12-5-4-7-14-8-6-10-16-15-9-2-3-11-17(15)21-18(14)16/h2-4,6-11H,5,12H2,1H3,(H,19,20).
What are the key properties of N-(4-dibenzofuran-4-ylbut-3-enyl)acetamide?
N-(4-dibenzofuran-4-ylbut-3-enyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylbut-3-enyl)acetamide is sourced from PubChem (CID 170489640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).