N-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide

C14H14N2O2 — CID 116829523

IUPACN-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide
SMILESCC(C)(NC(=O)CC#N)c1coc2ccccc12
InChIInChI=1S/C14H14N2O2/c1-14(2,16-13(17)7-8-15)11-9-18-12-6-4-3-5-10(11)12/h3-6,9H,7H2,1-2H3,(H,16,17)
InChIKeyUGOYQHXDYARGFQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.70
Rot. Bonds3

About N-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide

N-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide (PubChem CID 116829523) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide
PubChem CID116829523
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide
SMILESCC(C)(NC(=O)CC#N)c1coc2ccccc12
InChIInChI=1S/C14H14N2O2/c1-14(2,16-13(17)7-8-15)11-9-18-12-6-4-3-5-10(11)12/h3-6,9H,7H2,1-2H3,(H,16,17)
InChIKeyUGOYQHXDYARGFQ-UHFFFAOYSA-N
XLogP2.70
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-benzofuran-3-yl)-2-methylpropyl]urea
CID 115168850
2-(1-benzofuran-3-yl)-2-methylpropanoic acid
CID 84734012
2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide
CID 115151866
2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide
CID 116848268
1-[1,1-bis(1-benzofuran-3-yl)ethyl]-1-hydroxyurea
CID 57028878
2-cyano-N-dibenzofuran-1-ylacetamide
CID 168520368
2-(1-benzofuran-3-ylmethylamino)-2-methylpropanenitrile
CID 115129363
tert-butyl 3-(1-benzofuran-3-yl)-3-oxopropanoate
CID 22925275
2-(1-benzofuran-3-yl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263718
1-[1,1-bis(1-benzofuran-3-yl)propyl]-1-hydroxyurea
CID 88512065
N-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide
CID 115173717
N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 115884333

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide?
The IUPAC name of N-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide (CID 116829523) is N-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide.
What is the SMILES notation for N-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide?
The canonical SMILES for N-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide is CC(C)(NC(=O)CC#N)c1coc2ccccc12.
What is the InChIKey of N-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide?
The InChIKey is UGOYQHXDYARGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-14(2,16-13(17)7-8-15)11-9-18-12-6-4-3-5-10(11)12/h3-6,9H,7H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide?
N-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide has a molecular weight of 242.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide is sourced from PubChem (CID 116829523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).