2,2-dimethyl-N-(2-phenylethyl)propanamide

C13H19NO — CID 546250

IUPAC2,2-dimethyl-N-(2-phenylethyl)propanamide
SMILESCC(C)(C)C(=O)NCCc1ccccc1
InChIInChI=1S/C13H19NO/c1-13(2,3)12(15)14-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15)
InChIKeyWFCFPUJKBRCPGJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.39
Rot. Bonds3

About 2,2-dimethyl-N-(2-phenylethyl)propanamide

2,2-dimethyl-N-(2-phenylethyl)propanamide (PubChem CID 546250) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-phenylethyl)propanamide
PubChem CID546250
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2,2-dimethyl-N-(2-phenylethyl)propanamide
SMILESCC(C)(C)C(=O)NCCc1ccccc1
InChIInChI=1S/C13H19NO/c1-13(2,3)12(15)14-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15)
InChIKeyWFCFPUJKBRCPGJ-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.39
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-phenylethyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-phenylethyl)propanamide (CID 546250) is 2,2-dimethyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-phenylethyl)propanamide is CC(C)(C)C(=O)NCCc1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-(2-phenylethyl)propanamide?
The InChIKey is WFCFPUJKBRCPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,3)12(15)14-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15).
What are the key properties of 2,2-dimethyl-N-(2-phenylethyl)propanamide?
2,2-dimethyl-N-(2-phenylethyl)propanamide has a molecular weight of 205.30 g/mol, XLogP of 2.39, 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-(2-phenylethyl)propanamide is sourced from PubChem (CID 546250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).