N-[(2S)-1-phenylpropan-2-yl]acetamide

C11H15NO — CID 778481

IUPACN-[(2S)-1-phenylpropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)Cc1ccccc1
InChIInChI=1S/C11H15NO/c1-9(12-10(2)13)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyYPKBVWZHVTZSPU-VIFPVBQESA-N
MW177.25 g/mol
LogP1.75
Rot. Bonds3

About N-[(2S)-1-phenylpropan-2-yl]acetamide

N-[(2S)-1-phenylpropan-2-yl]acetamide (PubChem CID 778481) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(2S)-1-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-phenylpropan-2-yl]acetamide
PubChem CID778481
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-[(2S)-1-phenylpropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)Cc1ccccc1
InChIInChI=1S/C11H15NO/c1-9(12-10(2)13)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyYPKBVWZHVTZSPU-VIFPVBQESA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-phenylpropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-phenylpropan-2-yl]acetamide (CID 778481) is N-[(2S)-1-phenylpropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-phenylpropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-phenylpropan-2-yl]acetamide is CC(=O)N[C@@H](C)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-phenylpropan-2-yl]acetamide?
The InChIKey is YPKBVWZHVTZSPU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO/c1-9(12-10(2)13)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-phenylpropan-2-yl]acetamide?
N-[(2S)-1-phenylpropan-2-yl]acetamide has a molecular weight of 177.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 778481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).