N-(1-benzofuran-3-yl)-2-cyano-N,3-dimethylbutanamide

C15H16N2O2 — CID 115188587

IUPACN-(1-benzofuran-3-yl)-2-cyano-N,3-dimethylbutanamide
SMILESCC(C)C(C#N)C(=O)N(C)c1coc2ccccc12
InChIInChI=1S/C15H16N2O2/c1-10(2)12(8-16)15(18)17(3)13-9-19-14-7-5-4-6-11(13)14/h4-7,9-10,12H,1-3H3
InChIKeyHMMPXIDRIPTNPC-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.19
Rot. Bonds3

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

N-(1-benzofuran-3-yl)-2-cyano-N,3-dimethylbutanamide (PubChem CID 115188587) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(1-benzofuran-3-yl)-2-cyano-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-benzofuran-3-yl)-2-cyano-N,3-dimethylbutanamide
PubChem CID115188587
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC NameN-(1-benzofuran-3-yl)-2-cyano-N,3-dimethylbutanamide
SMILESCC(C)C(C#N)C(=O)N(C)c1coc2ccccc12
InChIInChI=1S/C15H16N2O2/c1-10(2)12(8-16)15(18)17(3)13-9-19-14-7-5-4-6-11(13)14/h4-7,9-10,12H,1-3H3
InChIKeyHMMPXIDRIPTNPC-UHFFFAOYSA-N
XLogP3.19
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(1H-indol-3-yl)-N,3-dimethylbutanamide
CID 115188570
N-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide
CID 115173717
3-[1-benzofuran-3-yl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 115164001
2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide
CID 115188569
2-[1-benzofuran-3-yl(methyl)amino]acetonitrile
CID 115130924
2-(1-benzofuran-3-yl)-3-methylbutanenitrile
CID 116964671
2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide
CID 115188555
2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol
CID 115252002
2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 55208173
4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol
CID 115149469
1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one
CID 83697645
2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide
CID 62002443

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-yl)-2-cyano-N,3-dimethylbutanamide?
The IUPAC name of N-(1-benzofuran-3-yl)-2-cyano-N,3-dimethylbutanamide (CID 115188587) is N-(1-benzofuran-3-yl)-2-cyano-N,3-dimethylbutanamide.
What is the SMILES notation for N-(1-benzofuran-3-yl)-2-cyano-N,3-dimethylbutanamide?
The canonical SMILES for N-(1-benzofuran-3-yl)-2-cyano-N,3-dimethylbutanamide is CC(C)C(C#N)C(=O)N(C)c1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-yl)-2-cyano-N,3-dimethylbutanamide?
The InChIKey is HMMPXIDRIPTNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10(2)12(8-16)15(18)17(3)13-9-19-14-7-5-4-6-11(13)14/h4-7,9-10,12H,1-3H3.
What are the key properties of N-(1-benzofuran-3-yl)-2-cyano-N,3-dimethylbutanamide?
N-(1-benzofuran-3-yl)-2-cyano-N,3-dimethylbutanamide has a molecular weight of 256.30 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-yl)-2-cyano-N,3-dimethylbutanamide is sourced from PubChem (CID 115188587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).