N-(2-cyanobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide

C14H16N2O2 — CID 62401437

IUPACN-(2-cyanobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCCC(C)(C#N)NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C14H16N2O2/c1-3-14(2,9-15)16-13(17)10-4-5-11-7-18-8-12(11)6-10/h4-6H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyUGOJBQLTXDXDJE-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.14
Rot. Bonds3

About N-(2-cyanobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide

N-(2-cyanobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 62401437) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID62401437
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(2-cyanobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCCC(C)(C#N)NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C14H16N2O2/c1-3-14(2,9-15)16-13(17)10-4-5-11-7-18-8-12(11)6-10/h4-6H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyUGOJBQLTXDXDJE-UHFFFAOYSA-N
XLogP2.14
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089519
N-(2-cyanobutan-2-yl)-4-ethylbenzamide
CID 51089526
N-(2-cyanobutan-2-yl)-3-methylbenzamide
CID 51089539
3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2,2,3-trimethylbutanoic acid
CID 65261387
4-bromo-3-chloro-N-(2-cyanobutan-2-yl)benzamide
CID 80998085
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate
CID 49159358
N-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103764912
N-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 81484647
N-(1-cyanopropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 55220483
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 103843199
3-chloro-N-(2-cyanobutan-2-yl)-4-nitrobenzamide
CID 103873377
N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106249948

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 62401437) is N-(2-cyanobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide is CCC(C)(C#N)NC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-(2-cyanobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is UGOJBQLTXDXDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-14(2,9-15)16-13(17)10-4-5-11-7-18-8-12(11)6-10/h4-6H,3,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-(2-cyanobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(2-cyanobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 62401437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).