N-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide

C14H16N2O2 — CID 54992715

IUPACN-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCN(CCC#N)C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C14H16N2O2/c1-2-16(9-5-8-15)14(17)13-10-11-6-3-4-7-12(11)18-13/h3-4,6-7,13H,2,5,9-10H2,1H3
InChIKeyFIIORIYEOROCBN-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.75
Rot. Bonds4

About N-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide

N-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 54992715) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID54992715
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCN(CCC#N)C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C14H16N2O2/c1-2-16(9-5-8-15)14(17)13-10-11-6-3-4-7-12(11)18-13/h3-4,6-7,13H,2,5,9-10H2,1H3
InChIKeyFIIORIYEOROCBN-UHFFFAOYSA-N
XLogP1.75
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698818
(2S)-5-chloro-N,N-bis(2-cyanoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 94813008
N-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 80659567
N-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901308
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106609150
N-cyclopentyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134060952
(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 135702776
5-[2-cyanoethyl(ethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688228
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile
CID 3112650
3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]propanenitrile
CID 7335000
N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 66215662

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 54992715) is N-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide is CCN(CCC#N)C(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is FIIORIYEOROCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-16(9-5-8-15)14(17)13-10-11-6-3-4-7-12(11)18-13/h3-4,6-7,13H,2,5,9-10H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 54992715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).