N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide

C13H17NO2 — CID 102237864

IUPACN-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide
SMILESCC[C@@](NC(C)=O)(C(C)=O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-4-13(10(2)15,14-11(3)16)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,14,16)/t13-/m1/s1
InChIKeySKDWFGNGGFMWOC-CYBMUJFWSA-N
MW219.28 g/mol
LogP2.02
Rot. Bonds4

About N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide

N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide (PubChem CID 102237864) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide
PubChem CID102237864
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide
SMILESCC[C@@](NC(C)=O)(C(C)=O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-4-13(10(2)15,14-11(3)16)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,14,16)/t13-/m1/s1
InChIKeySKDWFGNGGFMWOC-CYBMUJFWSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-phenylbutan-2-yl]acetamide
CID 101079586
2-(tert-butylsulfinylamino)-2-phenylbutanoic acid
CID 118565605
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-phenyl-2-(2,2,2-trifluoroethylamino)butanoic acid
CID 60997859
methyl 2-phenyl-2-(propan-2-ylamino)butanoate
CID 60786838
2-(3-methylbutylamino)-2-phenylbutanoic acid
CID 114992700
N-ethyl-2-hydroxy-4-oxo-2-phenylpentanamide
CID 162412364
N-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide
CID 134105964
2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid
CID 119201999
2-phenyl-2-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]butanoic acid
CID 120519046
2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid
CID 119202071
2-(cyclohexylamino)-2-phenylbutanoic acid
CID 60997703

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide?
The IUPAC name of N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide (CID 102237864) is N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide?
The canonical SMILES for N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide is CC[C@@](NC(C)=O)(C(C)=O)c1ccccc1.
What is the InChIKey of N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide?
The InChIKey is SKDWFGNGGFMWOC-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-13(10(2)15,14-11(3)16)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,14,16)/t13-/m1/s1.
What are the key properties of N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide?
N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide has a molecular weight of 219.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide is sourced from PubChem (CID 102237864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).