N-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide

C18H19NO2 — CID 100565674

IUPACN-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C18H19NO2/c1-11(2)12(3)19-18(20)17-10-15-14-7-5-4-6-13(14)8-9-16(15)21-17/h4-12H,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyUIGPDVYCVXNOHX-GFCCVEGCSA-N
MW281.36 g/mol
LogP4.36
Rot. Bonds3

About N-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide

N-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide (PubChem CID 100565674) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide
PubChem CID100565674
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C18H19NO2/c1-11(2)12(3)19-18(20)17-10-15-14-7-5-4-6-13(14)8-9-16(15)21-17/h4-12H,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyUIGPDVYCVXNOHX-GFCCVEGCSA-N
XLogP4.36
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide
CID 2986419
N-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 53281445
N,N-dimethylbenzo[e][1]benzofuran-2-carboxamide
CID 2990859
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 94011908
N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 167857934
N'-(furan-2-carbonyl)benzo[e][1]benzofuran-2-carbohydrazide
CID 3761855
ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036
N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzo[e][1]benzofuran-2-carboxamide
CID 100553668
N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 11995312
N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide
CID 113376830
4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide
CID 9070813
N-(5-methylhexan-2-yl)-4-oxochromene-2-carboxamide
CID 78788697

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide (CID 100565674) is N-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide is CC(C)[C@@H](C)NC(=O)c1cc2c(ccc3ccccc32)o1.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide?
The InChIKey is UIGPDVYCVXNOHX-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19NO2/c1-11(2)12(3)19-18(20)17-10-15-14-7-5-4-6-13(14)8-9-16(15)21-17/h4-12H,1-3H3,(H,19,20)/t12-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide?
N-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 100565674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).