N-(1-cyclohexyl-1,2-dideuterio-3-hydroxypropan-2-yl)acetamide

C11H21NO2 — CID 135038039

IUPACN-(1-cyclohexyl-1,2-dideuterio-3-hydroxypropan-2-yl)acetamide
SMILES[2H]C(C1CCCCC1)C([2H])(CO)NC(C)=O
InChIInChI=1S/C11H21NO2/c1-9(14)12-11(8-13)7-10-5-3-2-4-6-10/h10-11,13H,2-8H2,1H3,(H,12,14)/i7D,11D
InChIKeyNNZLCLFYSPBNNC-CJVWNTGVSA-N
MW201.31 g/mol
LogP1.45
Rot. Bonds4

About N-(1-cyclohexyl-1,2-dideuterio-3-hydroxypropan-2-yl)acetamide

N-(1-cyclohexyl-1,2-dideuterio-3-hydroxypropan-2-yl)acetamide (PubChem CID 135038039) has the molecular formula C11H21NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(1-cyclohexyl-1,2-dideuterio-3-hydroxypropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-1,2-dideuterio-3-hydroxypropan-2-yl)acetamide
PubChem CID135038039
Molecular FormulaC11H21NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(1-cyclohexyl-1,2-dideuterio-3-hydroxypropan-2-yl)acetamide
SMILES[2H]C(C1CCCCC1)C([2H])(CO)NC(C)=O
InChIInChI=1S/C11H21NO2/c1-9(14)12-11(8-13)7-10-5-3-2-4-6-10/h10-11,13H,2-8H2,1H3,(H,12,14)/i7D,11D
InChIKeyNNZLCLFYSPBNNC-CJVWNTGVSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-1,2-dideuterio-3-hydroxypropan-2-yl)acetamide?
The IUPAC name of N-(1-cyclohexyl-1,2-dideuterio-3-hydroxypropan-2-yl)acetamide (CID 135038039) is N-(1-cyclohexyl-1,2-dideuterio-3-hydroxypropan-2-yl)acetamide.
What is the SMILES notation for N-(1-cyclohexyl-1,2-dideuterio-3-hydroxypropan-2-yl)acetamide?
The canonical SMILES for N-(1-cyclohexyl-1,2-dideuterio-3-hydroxypropan-2-yl)acetamide is [2H]C(C1CCCCC1)C([2H])(CO)NC(C)=O.
What is the InChIKey of N-(1-cyclohexyl-1,2-dideuterio-3-hydroxypropan-2-yl)acetamide?
The InChIKey is NNZLCLFYSPBNNC-CJVWNTGVSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(14)12-11(8-13)7-10-5-3-2-4-6-10/h10-11,13H,2-8H2,1H3,(H,12,14)/i7D,11D.
What are the key properties of N-(1-cyclohexyl-1,2-dideuterio-3-hydroxypropan-2-yl)acetamide?
N-(1-cyclohexyl-1,2-dideuterio-3-hydroxypropan-2-yl)acetamide has a molecular weight of 201.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-1,2-dideuterio-3-hydroxypropan-2-yl)acetamide is sourced from PubChem (CID 135038039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).