2,3-diethyl-5-hydroxypentanamide;5-hydroxy-3,4-dimethylpentanamide

C16H34N2O4 — CID 88816865

IUPAC2,3-diethyl-5-hydroxypentanamide;5-hydroxy-3,4-dimethylpentanamide
SMILESCC(CO)C(C)CC(N)=O.CCC(CCO)C(CC)C(N)=O
InChIInChI=1S/C9H19NO2.C7H15NO2/c1-3-7(5-6-11)8(4-2)9(10)12;1-5(3-7(8)10)6(2)4-9/h7-8,11H,3-6H2,1-2H3,(H2,10,12);5-6,9H,3-4H2,1-2H3,(H2,8,10)
InChIKeyQBJDQTVDONHLIG-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.03
Rot. Bonds10

About 2,3-diethyl-5-hydroxypentanamide;5-hydroxy-3,4-dimethylpentanamide

2,3-diethyl-5-hydroxypentanamide;5-hydroxy-3,4-dimethylpentanamide (PubChem CID 88816865) has the molecular formula C16H34N2O4 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2,3-diethyl-5-hydroxypentanamide;5-hydroxy-3,4-dimethylpentanamide.

Molecular Properties

Compound Name2,3-diethyl-5-hydroxypentanamide;5-hydroxy-3,4-dimethylpentanamide
PubChem CID88816865
Molecular FormulaC16H34N2O4
Molecular Weight318.46 g/mol
Exact Mass318.25
IUPAC Name2,3-diethyl-5-hydroxypentanamide;5-hydroxy-3,4-dimethylpentanamide
SMILESCC(CO)C(C)CC(N)=O.CCC(CCO)C(CC)C(N)=O
InChIInChI=1S/C9H19NO2.C7H15NO2/c1-3-7(5-6-11)8(4-2)9(10)12;1-5(3-7(8)10)6(2)4-9/h7-8,11H,3-6H2,1-2H3,(H2,10,12);5-6,9H,3-4H2,1-2H3,(H2,8,10)
InChIKeyQBJDQTVDONHLIG-UHFFFAOYSA-N
XLogP1.03
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-butan-2-ylbutanediamide
CID 87535883
2-ethyl-3-(hydroxymethyl)hexanamide;3-(hydroxymethyl)-2-methylpentanamide
CID 88817450
(2R)-4-hydroxy-2-methylbutanamide
CID 89453282
2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol
CID 90222237
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
(2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide
CID 58071164
2-butan-2-yl-5-methylhexanamide
CID 174491174
(2S)-2-ethyl-3,5-dimethylheptanamide
CID 143378708
4-hydroxy-3-methylpentanamide
CID 21402958
2-ethyl-3-(fluoromethyl)octanamide
CID 173440200
2-ethyl-5-hydroxypentanamide;3-ethyl-5-hydroxypentanamide
CID 88844198
3,5-dihydroxypentanamide
CID 90721259

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-5-hydroxypentanamide;5-hydroxy-3,4-dimethylpentanamide?
The IUPAC name of 2,3-diethyl-5-hydroxypentanamide;5-hydroxy-3,4-dimethylpentanamide (CID 88816865) is 2,3-diethyl-5-hydroxypentanamide;5-hydroxy-3,4-dimethylpentanamide.
What is the SMILES notation for 2,3-diethyl-5-hydroxypentanamide;5-hydroxy-3,4-dimethylpentanamide?
The canonical SMILES for 2,3-diethyl-5-hydroxypentanamide;5-hydroxy-3,4-dimethylpentanamide is CC(CO)C(C)CC(N)=O.CCC(CCO)C(CC)C(N)=O.
What is the InChIKey of 2,3-diethyl-5-hydroxypentanamide;5-hydroxy-3,4-dimethylpentanamide?
The InChIKey is QBJDQTVDONHLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C7H15NO2/c1-3-7(5-6-11)8(4-2)9(10)12;1-5(3-7(8)10)6(2)4-9/h7-8,11H,3-6H2,1-2H3,(H2,10,12);5-6,9H,3-4H2,1-2H3,(H2,8,10).
What are the key properties of 2,3-diethyl-5-hydroxypentanamide;5-hydroxy-3,4-dimethylpentanamide?
2,3-diethyl-5-hydroxypentanamide;5-hydroxy-3,4-dimethylpentanamide has a molecular weight of 318.46 g/mol, XLogP of 1.03, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-5-hydroxypentanamide;5-hydroxy-3,4-dimethylpentanamide is sourced from PubChem (CID 88816865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).