N-(3-ethyl-4-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide

C13H25NO4 — CID 54227933

IUPACN-(3-ethyl-4-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCCC(CCNC(=O)C(O)C(C)(C)CO)C(C)=O
InChIInChI=1S/C13H25NO4/c1-5-10(9(2)16)6-7-14-12(18)11(17)13(3,4)8-15/h10-11,15,17H,5-8H2,1-4H3,(H,14,18)
InChIKeyWAUNCFLRXTUEOH-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.49
Rot. Bonds8

About N-(3-ethyl-4-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide

N-(3-ethyl-4-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide (PubChem CID 54227933) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(3-ethyl-4-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-ethyl-4-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide
PubChem CID54227933
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC NameN-(3-ethyl-4-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCCC(CCNC(=O)C(O)C(C)(C)CO)C(C)=O
InChIInChI=1S/C13H25NO4/c1-5-10(9(2)16)6-7-14-12(18)11(17)13(3,4)8-15/h10-11,15,17H,5-8H2,1-4H3,(H,14,18)
InChIKeyWAUNCFLRXTUEOH-UHFFFAOYSA-N
XLogP0.49
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dihydroxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 142091533
4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid
CID 16107
(2R)-N-(3-dimethylsilyl-3-hydroxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 154344563
acetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
CID 129285625
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](313C)propanoic acid
CID 101257666
3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](1,2,3-13C3)propanoic acid
CID 170898855
N-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 59125202
3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane
CID 174763260
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;gold
CID 176912960
(2S)-N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 59125211
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydrochloride
CID 155803311
CID 172837539
CID 172837539

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide?
The IUPAC name of N-(3-ethyl-4-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide (CID 54227933) is N-(3-ethyl-4-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for N-(3-ethyl-4-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide?
The canonical SMILES for N-(3-ethyl-4-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide is CCC(CCNC(=O)C(O)C(C)(C)CO)C(C)=O.
What is the InChIKey of N-(3-ethyl-4-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide?
The InChIKey is WAUNCFLRXTUEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-5-10(9(2)16)6-7-14-12(18)11(17)13(3,4)8-15/h10-11,15,17H,5-8H2,1-4H3,(H,14,18).
What are the key properties of N-(3-ethyl-4-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide?
N-(3-ethyl-4-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide has a molecular weight of 259.35 g/mol, XLogP of 0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 54227933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).