2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide

C15H20N2O — CID 115173418

IUPAC2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
SMILESCc1ccc(C(C)(C)CNC(=O)CC#N)c(C)c1
InChIInChI=1S/C15H20N2O/c1-11-5-6-13(12(2)9-11)15(3,4)10-17-14(18)7-8-16/h5-6,9H,7,10H2,1-4H3,(H,17,18)
InChIKeyGMWXHRNMVZDKKZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.61
Rot. Bonds4

About 2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide

2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide (PubChem CID 115173418) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
PubChem CID115173418
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
SMILESCc1ccc(C(C)(C)CNC(=O)CC#N)c(C)c1
InChIInChI=1S/C15H20N2O/c1-11-5-6-13(12(2)9-11)15(3,4)10-17-14(18)7-8-16/h5-6,9H,7,10H2,1-4H3,(H,17,18)
InChIKeyGMWXHRNMVZDKKZ-UHFFFAOYSA-N
XLogP2.61
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide
CID 115174062
2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide
CID 115173415
[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
CID 115171380
N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191406
2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115173409
2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide
CID 115173428
3-[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]propanenitrile
CID 115231327
2-amino-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-hydroxypropanamide
CID 115180202
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-3-oxobutanamide
CID 115176650
N-[2-(3-bromophenyl)-2-methylpropyl]-2-cyanoacetamide
CID 115173449
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191394
2-cyano-N-(2,5-dimethylphenyl)acetamide
CID 2360619

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide (CID 115173418) is 2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide is Cc1ccc(C(C)(C)CNC(=O)CC#N)c(C)c1.
What is the InChIKey of 2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide?
The InChIKey is GMWXHRNMVZDKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-5-6-13(12(2)9-11)15(3,4)10-17-14(18)7-8-16/h5-6,9H,7,10H2,1-4H3,(H,17,18).
What are the key properties of 2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide?
2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide has a molecular weight of 244.34 g/mol, XLogP of 2.61, 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-(2,4-dimethylphenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 115173418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).