2-cyano-N-(2,6-diethylphenyl)acetamide

C13H16N2O — CID 2380490

IUPAC2-cyano-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CC#N
InChIInChI=1S/C13H16N2O/c1-3-10-6-5-7-11(4-2)13(10)15-12(16)8-9-14/h5-7H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyJYWRJDYJJKKDEO-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.66
Rot. Bonds4

About 2-cyano-N-(2,6-diethylphenyl)acetamide

2-cyano-N-(2,6-diethylphenyl)acetamide (PubChem CID 2380490) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-cyano-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2,6-diethylphenyl)acetamide
PubChem CID2380490
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-cyano-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CC#N
InChIInChI=1S/C13H16N2O/c1-3-10-6-5-7-11(4-2)13(10)15-12(16)8-9-14/h5-7H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyJYWRJDYJJKKDEO-UHFFFAOYSA-N
XLogP2.66
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-cyanoacetyl)amino]-3-(2,6-diethylphenyl)urea
CID 14198984
N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
CID 108954547
2-cyano-N-(2,6-difluorophenyl)acetamide
CID 13174846
N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide
CID 43315674
4-cyano-N-(2,6-diethylphenyl)pentanamide
CID 112516692
4-cyano-N-(2,6-diethylphenyl)benzamide
CID 2592061
N-(2,6-diethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80723226
N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318
3-amino-N-(2,6-diethylphenyl)-3-sulfanylidenepropanamide
CID 28942377
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide
CID 108953932
N-(2,6-diethylphenyl)-2-[ethyl(methyl)amino]acetamide
CID 60516664

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(2,6-diethylphenyl)acetamide (CID 2380490) is 2-cyano-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-(2,6-diethylphenyl)acetamide?
The InChIKey is JYWRJDYJJKKDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-10-6-5-7-11(4-2)13(10)15-12(16)8-9-14/h5-7H,3-4,8H2,1-2H3,(H,15,16).
What are the key properties of 2-cyano-N-(2,6-diethylphenyl)acetamide?
2-cyano-N-(2,6-diethylphenyl)acetamide has a molecular weight of 216.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 2380490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).