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

C14H16N2O2 — CID 61120374

IUPACN-(2-cyanobutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCC(C)(C#N)NC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C14H16N2O2/c1-3-14(2,9-15)16-13(17)12-8-10-6-4-5-7-11(10)18-12/h4-7,12H,3,8H2,1-2H3,(H,16,17)
InChIKeySTZIPZFEUBBGQP-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.80
Rot. Bonds3

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

N-(2-cyanobutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 61120374) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID61120374
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(2-cyanobutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCC(C)(C#N)NC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C14H16N2O2/c1-3-14(2,9-15)16-13(17)12-8-10-6-4-5-7-11(10)18-12/h4-7,12H,3,8H2,1-2H3,(H,16,17)
InChIKeySTZIPZFEUBBGQP-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylbutanoate
CID 97315904
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
methyl 2-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylpropanoate
CID 30886866
methyl (2S)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylpentanoate
CID 93045753
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61125933
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 113295190
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
(2R)-2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-3,3-dimethylbutanoic acid
CID 103926570
N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 114149349
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
N-[2-(ethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119507846
N-(4-ethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089338

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 61120374) is N-(2-cyanobutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is CCC(C)(C#N)NC(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-(2-cyanobutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is STZIPZFEUBBGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-14(2,9-15)16-13(17)12-8-10-6-4-5-7-11(10)18-12/h4-7,12H,3,8H2,1-2H3,(H,16,17).
What are the key properties of N-(2-cyanobutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(2-cyanobutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.80, 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)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61120374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).