2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide

C13H14N2O2 — CID 62070749

IUPAC2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NC1COc2ccccc21
InChIInChI=1S/C13H14N2O2/c1-13(2,8-14)12(16)15-10-7-17-11-6-4-3-5-9(10)11/h3-6,10H,7H2,1-2H3,(H,15,16)
InChIKeyBIBHAHZPHLMXQN-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.79
Rot. Bonds2

About 2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide

2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide (PubChem CID 62070749) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide
PubChem CID62070749
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NC1COc2ccccc21
InChIInChI=1S/C13H14N2O2/c1-13(2,8-14)12(16)15-10-7-17-11-6-4-3-5-9(10)11/h3-6,10H,7H2,1-2H3,(H,15,16)
InChIKeyBIBHAHZPHLMXQN-UHFFFAOYSA-N
XLogP1.79
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
1-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylcyclobutane-1-carboxamide
CID 80501355
(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119759945
tert-butyl 3-[(2-cyano-2-methylpropanoyl)amino]-2,3-dihydro-1H-indene-1-carboxylate
CID 167784937
3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea
CID 115604588
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide
CID 79012503
N-[3-(3-cyano-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 167482693
3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea
CID 94867438
4-(2,3-dihydro-1-benzofuran-3-ylamino)-2,2-diethyl-4-oxobutanoic acid
CID 62065032
4-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 110751613
2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 62070746
N-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide
CID 91653348

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide?
The IUPAC name of 2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide (CID 62070749) is 2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide is CC(C)(C#N)C(=O)NC1COc2ccccc21.
What is the InChIKey of 2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide?
The InChIKey is BIBHAHZPHLMXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-13(2,8-14)12(16)15-10-7-17-11-6-4-3-5-9(10)11/h3-6,10H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide?
2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide has a molecular weight of 230.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide is sourced from PubChem (CID 62070749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).