2,2-dimethyl-N-[1-(2-methylphenyl)propyl]propanamide

C15H23NO — CID 56922224

IUPAC2,2-dimethyl-N-[1-(2-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)(C)C)c1ccccc1C
InChIInChI=1S/C15H23NO/c1-6-13(16-14(17)15(3,4)5)12-10-8-7-9-11(12)2/h7-10,13H,6H2,1-5H3,(H,16,17)
InChIKeyXYSGFJGMWAXUJX-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.61
Rot. Bonds3

About 2,2-dimethyl-N-[1-(2-methylphenyl)propyl]propanamide

2,2-dimethyl-N-[1-(2-methylphenyl)propyl]propanamide (PubChem CID 56922224) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(2-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(2-methylphenyl)propyl]propanamide
PubChem CID56922224
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2,2-dimethyl-N-[1-(2-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)(C)C)c1ccccc1C
InChIInChI=1S/C15H23NO/c1-6-13(16-14(17)15(3,4)5)12-10-8-7-9-11(12)2/h7-10,13H,6H2,1-5H3,(H,16,17)
InChIKeyXYSGFJGMWAXUJX-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(2-methylphenyl)propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-(2-methylphenyl)propyl]propanamide (CID 56922224) is 2,2-dimethyl-N-[1-(2-methylphenyl)propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-(2-methylphenyl)propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-(2-methylphenyl)propyl]propanamide is CCC(NC(=O)C(C)(C)C)c1ccccc1C.
What is the InChIKey of 2,2-dimethyl-N-[1-(2-methylphenyl)propyl]propanamide?
The InChIKey is XYSGFJGMWAXUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-6-13(16-14(17)15(3,4)5)12-10-8-7-9-11(12)2/h7-10,13H,6H2,1-5H3,(H,16,17).
What are the key properties of 2,2-dimethyl-N-[1-(2-methylphenyl)propyl]propanamide?
2,2-dimethyl-N-[1-(2-methylphenyl)propyl]propanamide has a molecular weight of 233.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(2-methylphenyl)propyl]propanamide is sourced from PubChem (CID 56922224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).