4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide

C9H19NO3 — CID 104556903

IUPAC4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide
SMILESCC(O)CCC(=O)N(C)C(C)CO
InChIInChI=1S/C9H19NO3/c1-7(6-11)10(3)9(13)5-4-8(2)12/h7-8,11-12H,4-6H2,1-3H3
InChIKeyZTVBZYPWQWLNCZ-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.01
Rot. Bonds5

About 4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide

4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide (PubChem CID 104556903) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide.

Molecular Properties

Compound Name4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide
PubChem CID104556903
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide
SMILESCC(O)CCC(=O)N(C)C(C)CO
InChIInChI=1S/C9H19NO3/c1-7(6-11)10(3)9(13)5-4-8(2)12/h7-8,11-12H,4-6H2,1-3H3
InChIKeyZTVBZYPWQWLNCZ-UHFFFAOYSA-N
XLogP-0.01
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-4-hydroxy-N-methylpentanamide
CID 79200204
2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551581
N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide
CID 104551888
N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide
CID 79200969
N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide
CID 104553462
N-(4-aminobutan-2-yl)-N,4-dimethylpentanamide
CID 63225605
N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide
CID 113337561
2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115869468
N-(1-hydroxypropan-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968619
N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79204974
2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid
CID 104551501
N-(1-hydroxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 115765115

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide?
The IUPAC name of 4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide (CID 104556903) is 4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide.
What is the SMILES notation for 4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide?
The canonical SMILES for 4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide is CC(O)CCC(=O)N(C)C(C)CO.
What is the InChIKey of 4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide?
The InChIKey is ZTVBZYPWQWLNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(6-11)10(3)9(13)5-4-8(2)12/h7-8,11-12H,4-6H2,1-3H3.
What are the key properties of 4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide?
4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide has a molecular weight of 189.25 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide is sourced from PubChem (CID 104556903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).