2-ethyl-3-(hydroxymethyl)hexanamide;3-(hydroxymethyl)-2-methylpentanamide

C16H34N2O4 — CID 88817450

IUPAC2-ethyl-3-(hydroxymethyl)hexanamide;3-(hydroxymethyl)-2-methylpentanamide
SMILESCCC(CO)C(C)C(N)=O.CCCC(CO)C(CC)C(N)=O
InChIInChI=1S/C9H19NO2.C7H15NO2/c1-3-5-7(6-11)8(4-2)9(10)12;1-3-6(4-9)5(2)7(8)10/h7-8,11H,3-6H2,1-2H3,(H2,10,12);5-6,9H,3-4H2,1-2H3,(H2,8,10)
InChIKeyBUOKQVXEPQVZMG-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.03
Rot. Bonds10

About 2-ethyl-3-(hydroxymethyl)hexanamide;3-(hydroxymethyl)-2-methylpentanamide

2-ethyl-3-(hydroxymethyl)hexanamide;3-(hydroxymethyl)-2-methylpentanamide (PubChem CID 88817450) has the molecular formula C16H34N2O4 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-ethyl-3-(hydroxymethyl)hexanamide;3-(hydroxymethyl)-2-methylpentanamide.

Molecular Properties

Compound Name2-ethyl-3-(hydroxymethyl)hexanamide;3-(hydroxymethyl)-2-methylpentanamide
PubChem CID88817450
Molecular FormulaC16H34N2O4
Molecular Weight318.46 g/mol
Exact Mass318.25
IUPAC Name2-ethyl-3-(hydroxymethyl)hexanamide;3-(hydroxymethyl)-2-methylpentanamide
SMILESCCC(CO)C(C)C(N)=O.CCCC(CO)C(CC)C(N)=O
InChIInChI=1S/C9H19NO2.C7H15NO2/c1-3-5-7(6-11)8(4-2)9(10)12;1-3-6(4-9)5(2)7(8)10/h7-8,11H,3-6H2,1-2H3,(H2,10,12);5-6,9H,3-4H2,1-2H3,(H2,8,10)
InChIKeyBUOKQVXEPQVZMG-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

2,3-diethyl-5-hydroxypentanamide;5-hydroxy-3,4-dimethylpentanamide
CID 88816865
2,3-dimethylhexanamide
CID 55291364
2-ethyl-3-(fluoromethyl)octanamide
CID 173440200
2-[(1R)-1-aminoethyl]pentan-1-ol
CID 163501333
2-(1-hydroxybutan-2-yl)octadec-9-enamide
CID 173264818
(E)-2-methyl-3-propylnon-7-enamide;hydrochloride
CID 87894374
(2R,3R)-3-amino-2-ethylhexan-1-ol
CID 11126400
(2R,3R)-2,3-dimethylpentanamide
CID 170847775
2-pentan-2-ylpropane-1,3-diol;2-pentan-3-ylpropane-1,3-diol
CID 174400202
2-ethyl-3-(hydroxymethyl)nonanoic acid
CID 57216991
2,3-dimethylpentanamide;hydroxylamine
CID 88699485
(2S,3R)-2-amino-3-propylbutane-1,4-diol
CID 10820698

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(hydroxymethyl)hexanamide;3-(hydroxymethyl)-2-methylpentanamide?
The IUPAC name of 2-ethyl-3-(hydroxymethyl)hexanamide;3-(hydroxymethyl)-2-methylpentanamide (CID 88817450) is 2-ethyl-3-(hydroxymethyl)hexanamide;3-(hydroxymethyl)-2-methylpentanamide.
What is the SMILES notation for 2-ethyl-3-(hydroxymethyl)hexanamide;3-(hydroxymethyl)-2-methylpentanamide?
The canonical SMILES for 2-ethyl-3-(hydroxymethyl)hexanamide;3-(hydroxymethyl)-2-methylpentanamide is CCC(CO)C(C)C(N)=O.CCCC(CO)C(CC)C(N)=O.
What is the InChIKey of 2-ethyl-3-(hydroxymethyl)hexanamide;3-(hydroxymethyl)-2-methylpentanamide?
The InChIKey is BUOKQVXEPQVZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C7H15NO2/c1-3-5-7(6-11)8(4-2)9(10)12;1-3-6(4-9)5(2)7(8)10/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-ethyl-3-(hydroxymethyl)hexanamide;3-(hydroxymethyl)-2-methylpentanamide?
2-ethyl-3-(hydroxymethyl)hexanamide;3-(hydroxymethyl)-2-methylpentanamide 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-ethyl-3-(hydroxymethyl)hexanamide;3-(hydroxymethyl)-2-methylpentanamide is sourced from PubChem (CID 88817450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).