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

C16H22N2O — CID 115174062

IUPAC3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide
SMILESCc1ccc(C(C)(C)CNC(=O)CCC#N)c(C)c1
InChIInChI=1S/C16H22N2O/c1-12-7-8-14(13(2)10-12)16(3,4)11-18-15(19)6-5-9-17/h7-8,10H,5-6,11H2,1-4H3,(H,18,19)
InChIKeyWGUCOTQJQBHTOX-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.00
Rot. Bonds5

About 3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide

3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide (PubChem CID 115174062) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide
PubChem CID115174062
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide
SMILESCc1ccc(C(C)(C)CNC(=O)CCC#N)c(C)c1
InChIInChI=1S/C16H22N2O/c1-12-7-8-14(13(2)10-12)16(3,4)11-18-15(19)6-5-9-17/h7-8,10H,5-6,11H2,1-4H3,(H,18,19)
InChIKeyWGUCOTQJQBHTOX-UHFFFAOYSA-N
XLogP3.00
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115173418
[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
CID 115171380
N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191406
3-[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]propanenitrile
CID 115231327
2-amino-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-hydroxypropanamide
CID 115180202
2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide
CID 115173415
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-3-oxobutanamide
CID 115176650
3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115173755
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191394
3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide
CID 115139516
2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115173409
(E)-4-[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]but-2-enoic acid
CID 115237403

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide?
The IUPAC name of 3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide (CID 115174062) is 3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide.
What is the SMILES notation for 3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide?
The canonical SMILES for 3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide is Cc1ccc(C(C)(C)CNC(=O)CCC#N)c(C)c1.
What is the InChIKey of 3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide?
The InChIKey is WGUCOTQJQBHTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-7-8-14(13(2)10-12)16(3,4)11-18-15(19)6-5-9-17/h7-8,10H,5-6,11H2,1-4H3,(H,18,19).
What are the key properties of 3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide?
3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide has a molecular weight of 258.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide is sourced from PubChem (CID 115174062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).