N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide

C17H17NO2 — CID 2986419

IUPACN-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C17H17NO2/c1-3-11(2)18-17(19)16-10-14-13-7-5-4-6-12(13)8-9-15(14)20-16/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyQATAFZFJYRCMOU-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.11
Rot. Bonds3

About N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide

N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide (PubChem CID 2986419) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide
PubChem CID2986419
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C17H17NO2/c1-3-11(2)18-17(19)16-10-14-13-7-5-4-6-12(13)8-9-15(14)20-16/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyQATAFZFJYRCMOU-UHFFFAOYSA-N
XLogP4.11
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide
CID 100565674
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 94011908
N-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 53281445
N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 167857934
5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide
CID 19225413
ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036
N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide
CID 113376830
N,N-dimethylbenzo[e][1]benzofuran-2-carboxamide
CID 2990859
N'-(furan-2-carbonyl)benzo[e][1]benzofuran-2-carbohydrazide
CID 3761855
N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide
CID 99646762
N-(5-methylhexan-2-yl)-4-oxochromene-2-carboxamide
CID 78788697
N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 11995312

Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide (CID 2986419) is N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide is CCC(C)NC(=O)c1cc2c(ccc3ccccc32)o1.
What is the InChIKey of N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide?
The InChIKey is QATAFZFJYRCMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-3-11(2)18-17(19)16-10-14-13-7-5-4-6-12(13)8-9-15(14)20-16/h4-11H,3H2,1-2H3,(H,18,19).
What are the key properties of N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide?
N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 2986419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).