N-[(2R)-2-methyl-1-oxo-3-phenylpropan-2-yl]acetamide

C12H15NO2 — CID 54371011

IUPACN-[(2R)-2-methyl-1-oxo-3-phenylpropan-2-yl]acetamide
SMILESCC(=O)N[C@@](C)(C=O)Cc1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(15)13-12(2,9-14)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,15)/t12-/m1/s1
InChIKeyVJPQJEOXMNFVAN-GFCCVEGCSA-N
MW205.26 g/mol
LogP1.32
Rot. Bonds4

About N-[(2R)-2-methyl-1-oxo-3-phenylpropan-2-yl]acetamide

N-[(2R)-2-methyl-1-oxo-3-phenylpropan-2-yl]acetamide (PubChem CID 54371011) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(2R)-2-methyl-1-oxo-3-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-methyl-1-oxo-3-phenylpropan-2-yl]acetamide
PubChem CID54371011
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-[(2R)-2-methyl-1-oxo-3-phenylpropan-2-yl]acetamide
SMILESCC(=O)N[C@@](C)(C=O)Cc1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(15)13-12(2,9-14)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,15)/t12-/m1/s1
InChIKeyVJPQJEOXMNFVAN-GFCCVEGCSA-N
XLogP1.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-1-oxo-3-phenylpropan-2-yl)carbamic acid
CID 87612069
acetic acid;2-methyl-2,3-diphenylpropanal
CID 174946322
3-acetamido-4-phenyl-3-sulfanylbutanoic acid
CID 146409359
8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide
CID 130421211
2,2-dimethyl-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 56921353
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
(2R)-2-formamido-2-methyl-3-phenylpropanamide
CID 149178833
(3S)-3-amino-3-benzyl-4-oxobutanoic acid
CID 57049268
2-acetamido-2-benzyl-4,4,4-triiodobutanamide
CID 140966049
3,3-dibromo-4-phenylbutan-2-one
CID 20690158
2-benzyl-N-ethyl-3-oxo-2-sulfanylpropanamide
CID 173413578

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methyl-1-oxo-3-phenylpropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-2-methyl-1-oxo-3-phenylpropan-2-yl]acetamide (CID 54371011) is N-[(2R)-2-methyl-1-oxo-3-phenylpropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-2-methyl-1-oxo-3-phenylpropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-2-methyl-1-oxo-3-phenylpropan-2-yl]acetamide is CC(=O)N[C@@](C)(C=O)Cc1ccccc1.
What is the InChIKey of N-[(2R)-2-methyl-1-oxo-3-phenylpropan-2-yl]acetamide?
The InChIKey is VJPQJEOXMNFVAN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10(15)13-12(2,9-14)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,15)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-methyl-1-oxo-3-phenylpropan-2-yl]acetamide?
N-[(2R)-2-methyl-1-oxo-3-phenylpropan-2-yl]acetamide has a molecular weight of 205.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methyl-1-oxo-3-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 54371011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).