2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide

C13H18N2O2 — CID 115188457

IUPAC2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide
SMILESCCC(C#N)C(=O)N(C)CCc1ccc(C)o1
InChIInChI=1S/C13H18N2O2/c1-4-11(9-14)13(16)15(3)8-7-12-6-5-10(2)17-12/h5-6,11H,4,7-8H2,1-3H3
InChIKeyZBWWMHAJCHSZHB-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.14
Rot. Bonds5

About 2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide

2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide (PubChem CID 115188457) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide
PubChem CID115188457
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide
SMILESCCC(C#N)C(=O)N(C)CCc1ccc(C)o1
InChIInChI=1S/C13H18N2O2/c1-4-11(9-14)13(16)15(3)8-7-12-6-5-10(2)17-12/h5-6,11H,4,7-8H2,1-3H3
InChIKeyZBWWMHAJCHSZHB-UHFFFAOYSA-N
XLogP2.14
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 55208257
3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 115180865
2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
CID 79494761
2-(aminomethyl)-N,3-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide
CID 115187599
2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115188455
2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile
CID 115254151
2-cyano-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylbutanamide
CID 115188435
2-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]propanenitrile
CID 115130586
2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115188456
5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid
CID 115163900
(E)-4-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]but-2-enoic acid
CID 115237377
1,11-bis(5-methylfuran-2-yl)undecane-3,6,9-trione
CID 71384501

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide?
The IUPAC name of 2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide (CID 115188457) is 2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide.
What is the SMILES notation for 2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide?
The canonical SMILES for 2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide is CCC(C#N)C(=O)N(C)CCc1ccc(C)o1.
What is the InChIKey of 2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide?
The InChIKey is ZBWWMHAJCHSZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-11(9-14)13(16)15(3)8-7-12-6-5-10(2)17-12/h5-6,11H,4,7-8H2,1-3H3.
What are the key properties of 2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide?
2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide has a molecular weight of 234.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide is sourced from PubChem (CID 115188457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).