2,2-dimethyl-N-(2-phenylpropan-2-yl)butanamide

C15H23NO — CID 13142332

IUPAC2,2-dimethyl-N-(2-phenylpropan-2-yl)butanamide
SMILESCCC(C)(C)C(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C15H23NO/c1-6-14(2,3)13(17)16-15(4,5)12-10-8-7-9-11-12/h7-11H,6H2,1-5H3,(H,16,17)
InChIKeyZARXFMOLERRPRH-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.47
Rot. Bonds4

About 2,2-dimethyl-N-(2-phenylpropan-2-yl)butanamide

2,2-dimethyl-N-(2-phenylpropan-2-yl)butanamide (PubChem CID 13142332) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-phenylpropan-2-yl)butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-phenylpropan-2-yl)butanamide
PubChem CID13142332
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2,2-dimethyl-N-(2-phenylpropan-2-yl)butanamide
SMILESCCC(C)(C)C(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C15H23NO/c1-6-14(2,3)13(17)16-15(4,5)12-10-8-7-9-11-12/h7-11H,6H2,1-5H3,(H,16,17)
InChIKeyZARXFMOLERRPRH-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.47
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-(2-phenylpropan-2-yl)butanamide?
The IUPAC name of 2,2-dimethyl-N-(2-phenylpropan-2-yl)butanamide (CID 13142332) is 2,2-dimethyl-N-(2-phenylpropan-2-yl)butanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-phenylpropan-2-yl)butanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-phenylpropan-2-yl)butanamide is CCC(C)(C)C(=O)NC(C)(C)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-(2-phenylpropan-2-yl)butanamide?
The InChIKey is ZARXFMOLERRPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-6-14(2,3)13(17)16-15(4,5)12-10-8-7-9-11-12/h7-11H,6H2,1-5H3,(H,16,17).
What are the key properties of 2,2-dimethyl-N-(2-phenylpropan-2-yl)butanamide?
2,2-dimethyl-N-(2-phenylpropan-2-yl)butanamide has a molecular weight of 233.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-phenylpropan-2-yl)butanamide is sourced from PubChem (CID 13142332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).