N-ethyl-2-hydroxy-4-oxo-2-phenylpentanamide

C13H17NO3 — CID 162412364

IUPACN-ethyl-2-hydroxy-4-oxo-2-phenylpentanamide
SMILESCCNC(=O)C(O)(CC(C)=O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-3-14-12(16)13(17,9-10(2)15)11-7-5-4-6-8-11/h4-8,17H,3,9H2,1-2H3,(H,14,16)
InChIKeyOLQIHYTWLPMKJS-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.99
Rot. Bonds5

About N-ethyl-2-hydroxy-4-oxo-2-phenylpentanamide

N-ethyl-2-hydroxy-4-oxo-2-phenylpentanamide (PubChem CID 162412364) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-4-oxo-2-phenylpentanamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-4-oxo-2-phenylpentanamide
PubChem CID162412364
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-ethyl-2-hydroxy-4-oxo-2-phenylpentanamide
SMILESCCNC(=O)C(O)(CC(C)=O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-3-14-12(16)13(17,9-10(2)15)11-7-5-4-6-8-11/h4-8,17H,3,9H2,1-2H3,(H,14,16)
InChIKeyOLQIHYTWLPMKJS-UHFFFAOYSA-N
XLogP0.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate
CID 141073730
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N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide
CID 170020626
3-oxo-1,1-diphenylbutan-1-olate
CID 101443170
4-amino-N-ethyl-2,3-dimethyl-2-phenylbutanamide;methanol
CID 143150724
ethyl 2-acetyl-4-oxo-2-phenylpentanoate
CID 68562528
N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide
CID 102237864
1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506
tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate
CID 102563275
benzene;N-ethylacetamide;propane
CID 123217634
3-amino-3-phenylpentane-2,4-dione
CID 70119036
methyl (2R)-2-hydroxy-2-(3-methylphenyl)-4-oxopentanoate
CID 102590001

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-4-oxo-2-phenylpentanamide?
The IUPAC name of N-ethyl-2-hydroxy-4-oxo-2-phenylpentanamide (CID 162412364) is N-ethyl-2-hydroxy-4-oxo-2-phenylpentanamide.
What is the SMILES notation for N-ethyl-2-hydroxy-4-oxo-2-phenylpentanamide?
The canonical SMILES for N-ethyl-2-hydroxy-4-oxo-2-phenylpentanamide is CCNC(=O)C(O)(CC(C)=O)c1ccccc1.
What is the InChIKey of N-ethyl-2-hydroxy-4-oxo-2-phenylpentanamide?
The InChIKey is OLQIHYTWLPMKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-14-12(16)13(17,9-10(2)15)11-7-5-4-6-8-11/h4-8,17H,3,9H2,1-2H3,(H,14,16).
What are the key properties of N-ethyl-2-hydroxy-4-oxo-2-phenylpentanamide?
N-ethyl-2-hydroxy-4-oxo-2-phenylpentanamide has a molecular weight of 235.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-4-oxo-2-phenylpentanamide is sourced from PubChem (CID 162412364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).