2-cyano-N-(2,4,6-trimethylphenyl)propanamide

C13H16N2O — CID 55207019

IUPAC2-cyano-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)C#N)c(C)c1
InChIInChI=1S/C13H16N2O/c1-8-5-9(2)12(10(3)6-8)15-13(16)11(4)7-14/h5-6,11H,1-4H3,(H,15,16)
InChIKeyNFKPAHJSMBAQGE-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.71
Rot. Bonds2

About 2-cyano-N-(2,4,6-trimethylphenyl)propanamide

2-cyano-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 55207019) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-cyano-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID55207019
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-cyano-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)C#N)c(C)c1
InChIInChI=1S/C13H16N2O/c1-8-5-9(2)12(10(3)6-8)15-13(16)11(4)7-14/h5-6,11H,1-4H3,(H,15,16)
InChIKeyNFKPAHJSMBAQGE-UHFFFAOYSA-N
XLogP2.71
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-(2,4,6-trimethylphenyl)butanamide
CID 82115707
(2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
CID 79011703
2-(2-hydroxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 42912739
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N-(2-bromo-5-methylphenyl)-2-cyanopropanamide
CID 82757747
2-(3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 53266252
1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide
CID 67992232
2-propyl-N-(2,4,6-trimethylphenyl)pentanamide
CID 11841490
2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide
CID 76892574
(2,4,6-trimethylphenyl) 2-cyanopropanoate
CID 102373533
2-anilino-N-(2,4,6-trimethylphenyl)propanamide
CID 78666778
N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890284

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-cyano-N-(2,4,6-trimethylphenyl)propanamide (CID 55207019) is 2-cyano-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-cyano-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-cyano-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)C#N)c(C)c1.
What is the InChIKey of 2-cyano-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is NFKPAHJSMBAQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-5-9(2)12(10(3)6-8)15-13(16)11(4)7-14/h5-6,11H,1-4H3,(H,15,16).
What are the key properties of 2-cyano-N-(2,4,6-trimethylphenyl)propanamide?
2-cyano-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 216.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 55207019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).