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

C13H17NO2 — CID 59237081

IUPACN-[(1R)-3-methyl-2-oxo-1-phenylbutyl]acetamide
SMILESCC(=O)N[C@@H](C(=O)C(C)C)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-9(2)13(16)12(14-10(3)15)11-7-5-4-6-8-11/h4-9,12H,1-3H3,(H,14,15)/t12-/m1/s1
InChIKeyQSIOSRVFUYRXQB-GFCCVEGCSA-N
MW219.28 g/mol
LogP2.09
Rot. Bonds4

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

N-[(1R)-3-methyl-2-oxo-1-phenylbutyl]acetamide (PubChem CID 59237081) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[(1R)-3-methyl-2-oxo-1-phenylbutyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-3-methyl-2-oxo-1-phenylbutyl]acetamide
PubChem CID59237081
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[(1R)-3-methyl-2-oxo-1-phenylbutyl]acetamide
SMILESCC(=O)N[C@@H](C(=O)C(C)C)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-9(2)13(16)12(14-10(3)15)11-7-5-4-6-8-11/h4-9,12H,1-3H3,(H,14,15)/t12-/m1/s1
InChIKeyQSIOSRVFUYRXQB-GFCCVEGCSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-2-phenylethanethioic S-acid
CID 54058419
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
2-acetamido-3-phenylbutanoic acid
CID 14036079
N-(2-oxo-1,4-diphenylbut-3-enyl)acetamide
CID 71375700
carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide
CID 14362564
N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide
CID 19002966
methyl (2S,3R)-3-acetamido-2-methyl-3-phenylpropanoate
CID 101468384
butyl (2R)-2-acetamido-2-phenylacetate
CID 11096964
(2S)-2-(2-methylprop-2-enoylamino)-2-phenylacetic acid
CID 22846521
N-(2-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 57274046
(1S)-1-(methylamino)-1-phenylpropan-2-one
CID 59960222
1-chloro-3-methyl-1-phenylbutan-2-one
CID 79006597

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-methyl-2-oxo-1-phenylbutyl]acetamide?
The IUPAC name of N-[(1R)-3-methyl-2-oxo-1-phenylbutyl]acetamide (CID 59237081) is N-[(1R)-3-methyl-2-oxo-1-phenylbutyl]acetamide.
What is the SMILES notation for N-[(1R)-3-methyl-2-oxo-1-phenylbutyl]acetamide?
The canonical SMILES for N-[(1R)-3-methyl-2-oxo-1-phenylbutyl]acetamide is CC(=O)N[C@@H](C(=O)C(C)C)c1ccccc1.
What is the InChIKey of N-[(1R)-3-methyl-2-oxo-1-phenylbutyl]acetamide?
The InChIKey is QSIOSRVFUYRXQB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)13(16)12(14-10(3)15)11-7-5-4-6-8-11/h4-9,12H,1-3H3,(H,14,15)/t12-/m1/s1.
What are the key properties of N-[(1R)-3-methyl-2-oxo-1-phenylbutyl]acetamide?
N-[(1R)-3-methyl-2-oxo-1-phenylbutyl]acetamide has a molecular weight of 219.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-methyl-2-oxo-1-phenylbutyl]acetamide is sourced from PubChem (CID 59237081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).