N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide

C10H18N2O2 — CID 79204539

IUPACN-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide
SMILESCC(O)CCC(=O)N(C)CC(C)C#N
InChIInChI=1S/C10H18N2O2/c1-8(6-11)7-12(3)10(14)5-4-9(2)13/h8-9,13H,4-5,7H2,1-3H3
InChIKeyWVTOBOXJHVREMG-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.77
Rot. Bonds5

About N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide

N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide (PubChem CID 79204539) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide
PubChem CID79204539
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide
SMILESCC(O)CCC(=O)N(C)CC(C)C#N
InChIInChI=1S/C10H18N2O2/c1-8(6-11)7-12(3)10(14)5-4-9(2)13/h8-9,13H,4-5,7H2,1-3H3
InChIKeyWVTOBOXJHVREMG-UHFFFAOYSA-N
XLogP0.77
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropyl)-N-methylheptanamide
CID 115593392
N-(2-cyanopropyl)-N,3-dimethylpentanamide
CID 114874726
1-(2-cyanopropyl)-1,3,3-trimethylurea
CID 78969861
N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide
CID 79200969
3-(4-aminophenyl)-N-(2-cyanopropyl)-N-methylpropanamide
CID 61114933
N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 55207585
2-methyl-3-[methyl(2-oxopropyl)amino]propanenitrile
CID 62051687
2-amino-N-(2-cyanopropyl)-N-methylpentanamide
CID 60963784
2,2,2-trifluoroethyl N-[3-[[(2S)-2-cyanopropyl]-methylamino]-3-oxopropyl]carbamate
CID 94816207
N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide
CID 107026270
4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide
CID 112666850
2-bromo-N-(2-cyanopropyl)-N,2-dimethylpropanamide
CID 114328285

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide?
The IUPAC name of N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide (CID 79204539) is N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide.
What is the SMILES notation for N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide?
The canonical SMILES for N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide is CC(O)CCC(=O)N(C)CC(C)C#N.
What is the InChIKey of N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide?
The InChIKey is WVTOBOXJHVREMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(6-11)7-12(3)10(14)5-4-9(2)13/h8-9,13H,4-5,7H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide?
N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide has a molecular weight of 198.27 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide is sourced from PubChem (CID 79204539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).