4-acetamido-3-hydroxy-N,N-dimethylpentanamide

C9H18N2O3 — CID 20668247

IUPAC4-acetamido-3-hydroxy-N,N-dimethylpentanamide
SMILESCC(=O)NC(C)C(O)CC(=O)N(C)C
InChIInChI=1S/C9H18N2O3/c1-6(10-7(2)12)8(13)5-9(14)11(3)4/h6,8,13H,5H2,1-4H3,(H,10,12)
InChIKeySEMKIAVMLWCVOL-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.65
Rot. Bonds4

About 4-acetamido-3-hydroxy-N,N-dimethylpentanamide

4-acetamido-3-hydroxy-N,N-dimethylpentanamide (PubChem CID 20668247) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-acetamido-3-hydroxy-N,N-dimethylpentanamide.

Molecular Properties

Compound Name4-acetamido-3-hydroxy-N,N-dimethylpentanamide
PubChem CID20668247
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name4-acetamido-3-hydroxy-N,N-dimethylpentanamide
SMILESCC(=O)NC(C)C(O)CC(=O)N(C)C
InChIInChI=1S/C9H18N2O3/c1-6(10-7(2)12)8(13)5-9(14)11(3)4/h6,8,13H,5H2,1-4H3,(H,10,12)
InChIKeySEMKIAVMLWCVOL-UHFFFAOYSA-N
XLogP-0.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-4-hydroxy-5-methylpyrrolidin-2-one
CID 10898693
(4S,5S)-4-hydroxy-5-methylpyrrolidin-2-one
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N-cyclohexyl-3-hydroxybutanamide
CID 69602939
4-Hydroxy-5-methylpyrrolidin-2-one
CID 85307823
4-Hydroxy-1-piperidin-4-YL-pyrrolidin-2-one
CID 45480478
N-(1-hydroxybutan-2-yl)pentanamide
CID 43417907
(3R)-N-butyl-3-hydroxypentanamide
CID 135071072
4-amino-N-(3,3-difluoro-2-hydroxypropyl)pentanamide
CID 106813313
N-ethyl-2-(ethylamino)-3-hydroxybutanamide
CID 170848809
2-hydroxy-N,N'-dipentylbutanediamide
CID 268195
(2S)-2-amino-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide
CID 14731092
3-hydroxy-N-methyl-4-(methylamino)pentanamide
CID 18722026

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-hydroxy-N,N-dimethylpentanamide?
The IUPAC name of 4-acetamido-3-hydroxy-N,N-dimethylpentanamide (CID 20668247) is 4-acetamido-3-hydroxy-N,N-dimethylpentanamide.
What is the SMILES notation for 4-acetamido-3-hydroxy-N,N-dimethylpentanamide?
The canonical SMILES for 4-acetamido-3-hydroxy-N,N-dimethylpentanamide is CC(=O)NC(C)C(O)CC(=O)N(C)C.
What is the InChIKey of 4-acetamido-3-hydroxy-N,N-dimethylpentanamide?
The InChIKey is SEMKIAVMLWCVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(10-7(2)12)8(13)5-9(14)11(3)4/h6,8,13H,5H2,1-4H3,(H,10,12).
What are the key properties of 4-acetamido-3-hydroxy-N,N-dimethylpentanamide?
4-acetamido-3-hydroxy-N,N-dimethylpentanamide has a molecular weight of 202.25 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-hydroxy-N,N-dimethylpentanamide is sourced from PubChem (CID 20668247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).