N-(4-cyano-2,6-dimethylphenyl)cyclobutanecarboxamide

C14H16N2O — CID 155118620

IUPACN-(4-cyano-2,6-dimethylphenyl)cyclobutanecarboxamide
SMILESCc1cc(C#N)cc(C)c1NC(=O)C1CCC1
InChIInChI=1S/C14H16N2O/c1-9-6-11(8-15)7-10(2)13(9)16-14(17)12-4-3-5-12/h6-7,12H,3-5H2,1-2H3,(H,16,17)
InChIKeyIUCMWRTUKHDFEV-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.91
Rot. Bonds2

About N-(4-cyano-2,6-dimethylphenyl)cyclobutanecarboxamide

N-(4-cyano-2,6-dimethylphenyl)cyclobutanecarboxamide (PubChem CID 155118620) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is N-(4-cyano-2,6-dimethylphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(4-cyano-2,6-dimethylphenyl)cyclobutanecarboxamide
PubChem CID155118620
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC NameN-(4-cyano-2,6-dimethylphenyl)cyclobutanecarboxamide
SMILESCc1cc(C#N)cc(C)c1NC(=O)C1CCC1
InChIInChI=1S/C14H16N2O/c1-9-6-11(8-15)7-10(2)13(9)16-14(17)12-4-3-5-12/h6-7,12H,3-5H2,1-2H3,(H,16,17)
InChIKeyIUCMWRTUKHDFEV-UHFFFAOYSA-N
XLogP2.91
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyano-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide
CID 156737733
N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide
CID 43134141
3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119670922
N-(4-cyano-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)butanamide
CID 156737793
(3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide
CID 28562759
N-(4-cyano-6-methyl-2-pyridinyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 167786103
(3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide
CID 81139836
N-(2-chloro-6-methyl-4-sulfamoylphenyl)cyclobutanecarboxamide
CID 66255370
N-(4-methylthiophen-3-yl)cyclobutanecarboxamide
CID 130670865
1-(4-cyanophenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 26692920
1,1-dioxo-N-(2,4,6-trimethylphenyl)thiane-3-carboxamide
CID 110858216
N-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide
CID 100828283

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2,6-dimethylphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(4-cyano-2,6-dimethylphenyl)cyclobutanecarboxamide (CID 155118620) is N-(4-cyano-2,6-dimethylphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(4-cyano-2,6-dimethylphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(4-cyano-2,6-dimethylphenyl)cyclobutanecarboxamide is Cc1cc(C#N)cc(C)c1NC(=O)C1CCC1.
What is the InChIKey of N-(4-cyano-2,6-dimethylphenyl)cyclobutanecarboxamide?
The InChIKey is IUCMWRTUKHDFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-6-11(8-15)7-10(2)13(9)16-14(17)12-4-3-5-12/h6-7,12H,3-5H2,1-2H3,(H,16,17).
What are the key properties of N-(4-cyano-2,6-dimethylphenyl)cyclobutanecarboxamide?
N-(4-cyano-2,6-dimethylphenyl)cyclobutanecarboxamide has a molecular weight of 228.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2,6-dimethylphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 155118620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).