(2S,3R)-3-hydroxy-N-methyl-2-propylheptanamide

C11H23NO2 — CID 122412678

IUPAC(2S,3R)-3-hydroxy-N-methyl-2-propylheptanamide
SMILESCCCC[C@@H](O)C(CCC)C(=O)NC
InChIInChI=1S/C11H23NO2/c1-4-6-8-10(13)9(7-5-2)11(14)12-3/h9-10,13H,4-8H2,1-3H3,(H,12,14)/t9?,10-/m1/s1
InChIKeySKNIBSLKRUOZBV-QVDQXJPCSA-N
MW201.31 g/mol
LogP1.70
Rot. Bonds7

About (2S,3R)-3-hydroxy-N-methyl-2-propylheptanamide

(2S,3R)-3-hydroxy-N-methyl-2-propylheptanamide (PubChem CID 122412678) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-N-methyl-2-propylheptanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-N-methyl-2-propylheptanamide
PubChem CID122412678
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(2S,3R)-3-hydroxy-N-methyl-2-propylheptanamide
SMILESCCCC[C@@H](O)C(CCC)C(=O)NC
InChIInChI=1S/C11H23NO2/c1-4-6-8-10(13)9(7-5-2)11(14)12-3/h9-10,13H,4-8H2,1-3H3,(H,12,14)/t9?,10-/m1/s1
InChIKeySKNIBSLKRUOZBV-QVDQXJPCSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-N-methyl-2-propylheptanamide?
The IUPAC name of (2S,3R)-3-hydroxy-N-methyl-2-propylheptanamide (CID 122412678) is (2S,3R)-3-hydroxy-N-methyl-2-propylheptanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-N-methyl-2-propylheptanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-N-methyl-2-propylheptanamide is CCCC[C@@H](O)C(CCC)C(=O)NC.
What is the InChIKey of (2S,3R)-3-hydroxy-N-methyl-2-propylheptanamide?
The InChIKey is SKNIBSLKRUOZBV-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-6-8-10(13)9(7-5-2)11(14)12-3/h9-10,13H,4-8H2,1-3H3,(H,12,14)/t9?,10-/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-N-methyl-2-propylheptanamide?
(2S,3R)-3-hydroxy-N-methyl-2-propylheptanamide has a molecular weight of 201.31 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-N-methyl-2-propylheptanamide is sourced from PubChem (CID 122412678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).