N-[(2R)-1-hydroxy-3-oxo-5-phenylpentan-2-yl]acetamide

C13H17NO3 — CID 146894661

IUPACN-[(2R)-1-hydroxy-3-oxo-5-phenylpentan-2-yl]acetamide
SMILESCC(=O)N[C@H](CO)C(=O)CCc1ccccc1
InChIInChI=1S/C13H17NO3/c1-10(16)14-12(9-15)13(17)8-7-11-5-3-2-4-6-11/h2-6,12,15H,7-9H2,1H3,(H,14,16)/t12-/m1/s1
InChIKeyTWKBKLBGHXAKHF-GFCCVEGCSA-N
MW235.28 g/mol
LogP0.69
Rot. Bonds6

About N-[(2R)-1-hydroxy-3-oxo-5-phenylpentan-2-yl]acetamide

N-[(2R)-1-hydroxy-3-oxo-5-phenylpentan-2-yl]acetamide (PubChem CID 146894661) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-oxo-5-phenylpentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-oxo-5-phenylpentan-2-yl]acetamide
PubChem CID146894661
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[(2R)-1-hydroxy-3-oxo-5-phenylpentan-2-yl]acetamide
SMILESCC(=O)N[C@H](CO)C(=O)CCc1ccccc1
InChIInChI=1S/C13H17NO3/c1-10(16)14-12(9-15)13(17)8-7-11-5-3-2-4-6-11/h2-6,12,15H,7-9H2,1H3,(H,14,16)/t12-/m1/s1
InChIKeyTWKBKLBGHXAKHF-GFCCVEGCSA-N
XLogP0.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-acetamido-3-oxo-5-phenylpentanoate
CID 19019941
2-acetamido-4-phenylbutanamide
CID 67451841
(2S)-2-acetamido-4-phenylbutanoate
CID 86308206
methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate
CID 19957018
2-acetamido-3-(3-phenylpropanethioylsulfanyl)propanoic acid
CID 123713502
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
(2S)-2-acetamido-7-phenylheptanoic acid
CID 129362724
[(2R)-1-methoxy-3-oxo-5-phenylpentan-2-yl]urea
CID 157112408
methyl (2S)-2-[[2-[[(2S)-2-acetamido-4-phenylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoate
CID 70328004
N-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide
CID 92529724
4-bromo-1-phenylpentan-3-one
CID 121216753
4-ethyl-1-phenylhexan-3-one
CID 71072308

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-oxo-5-phenylpentan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-oxo-5-phenylpentan-2-yl]acetamide (CID 146894661) is N-[(2R)-1-hydroxy-3-oxo-5-phenylpentan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-oxo-5-phenylpentan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-oxo-5-phenylpentan-2-yl]acetamide is CC(=O)N[C@H](CO)C(=O)CCc1ccccc1.
What is the InChIKey of N-[(2R)-1-hydroxy-3-oxo-5-phenylpentan-2-yl]acetamide?
The InChIKey is TWKBKLBGHXAKHF-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(16)14-12(9-15)13(17)8-7-11-5-3-2-4-6-11/h2-6,12,15H,7-9H2,1H3,(H,14,16)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-oxo-5-phenylpentan-2-yl]acetamide?
N-[(2R)-1-hydroxy-3-oxo-5-phenylpentan-2-yl]acetamide has a molecular weight of 235.28 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-oxo-5-phenylpentan-2-yl]acetamide is sourced from PubChem (CID 146894661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).