N-(4-cyano-3,5-dimethylphenyl)acetamide

C11H12N2O — CID 171976448

IUPACN-(4-cyano-3,5-dimethylphenyl)acetamide
SMILESCC(=O)Nc1cc(C)c(C#N)c(C)c1
InChIInChI=1S/C11H12N2O/c1-7-4-10(13-9(3)14)5-8(2)11(7)6-12/h4-5H,1-3H3,(H,13,14)
InChIKeyUYWDFTIIMWOLJT-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.13
Rot. Bonds1

About N-(4-cyano-3,5-dimethylphenyl)acetamide

N-(4-cyano-3,5-dimethylphenyl)acetamide (PubChem CID 171976448) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-(4-cyano-3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-3,5-dimethylphenyl)acetamide
PubChem CID171976448
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-(4-cyano-3,5-dimethylphenyl)acetamide
SMILESCC(=O)Nc1cc(C)c(C#N)c(C)c1
InChIInChI=1S/C11H12N2O/c1-7-4-10(13-9(3)14)5-8(2)11(7)6-12/h4-5H,1-3H3,(H,13,14)
InChIKeyUYWDFTIIMWOLJT-UHFFFAOYSA-N
XLogP2.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyano-3-fluoro-5-methylphenyl)acetamide
CID 127264492
N-(3,5-dichloro-4-cyanophenyl)acetamide
CID 134176863
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
N-(3-cyano-4-methylphenyl)acetamide
CID 130011949
N-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide
CID 15743749
N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetamide
CID 139660865
N-(3,4-dicyanophenyl)acetamide
CID 12938829
5-acetamido-2,3-dimethylbenzoic acid
CID 63020849
N-(5-cyano-6-ethoxy-4-methyl-2-pyridinyl)acetamide
CID 11622644
2-(4-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid
CID 171015674
N-(4-cyano-2,5-dimethylphenyl)acetamide
CID 10910295
methyl 2-acetamido-3-cyano-4,5-dimethylbenzoate
CID 125468662

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-3,5-dimethylphenyl)acetamide?
The IUPAC name of N-(4-cyano-3,5-dimethylphenyl)acetamide (CID 171976448) is N-(4-cyano-3,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(4-cyano-3,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(4-cyano-3,5-dimethylphenyl)acetamide is CC(=O)Nc1cc(C)c(C#N)c(C)c1.
What is the InChIKey of N-(4-cyano-3,5-dimethylphenyl)acetamide?
The InChIKey is UYWDFTIIMWOLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-4-10(13-9(3)14)5-8(2)11(7)6-12/h4-5H,1-3H3,(H,13,14).
What are the key properties of N-(4-cyano-3,5-dimethylphenyl)acetamide?
N-(4-cyano-3,5-dimethylphenyl)acetamide has a molecular weight of 188.23 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 171976448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).