2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide

C13H19NO — CID 6951743

IUPAC2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C13H19NO/c1-10(11-8-6-5-7-9-11)14-12(15)13(2,3)4/h5-10H,1-4H3,(H,14,15)/t10-/m0/s1
InChIKeyHBBKPRZFGXDWHG-JTQLQIEISA-N
MW205.30 g/mol
LogP2.91
Rot. Bonds2

About 2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide

2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 6951743) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
PubChem CID6951743
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C13H19NO/c1-10(11-8-6-5-7-9-11)14-12(15)13(2,3)4/h5-10H,1-4H3,(H,14,15)/t10-/m0/s1
InChIKeyHBBKPRZFGXDWHG-JTQLQIEISA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.91
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-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide (CID 6951743) is 2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide is C[C@H](NC(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is HBBKPRZFGXDWHG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19NO/c1-10(11-8-6-5-7-9-11)14-12(15)13(2,3)4/h5-10H,1-4H3,(H,14,15)/t10-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide?
2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 205.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 6951743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).