(2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide

C11H23NO2 — CID 135055401

IUPAC(2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide
SMILESCCN(CC)C(=O)[C@@H](C)[C@@H](O)C(C)C
InChIInChI=1S/C11H23NO2/c1-6-12(7-2)11(14)9(5)10(13)8(3)4/h8-10,13H,6-7H2,1-5H3/t9-,10-/m0/s1
InChIKeyFYGFPOZYVOJEJR-UWVGGRQHSA-N
MW201.31 g/mol
LogP1.51
Rot. Bonds5

About (2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide

(2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide (PubChem CID 135055401) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide
PubChem CID135055401
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide
SMILESCCN(CC)C(=O)[C@@H](C)[C@@H](O)C(C)C
InChIInChI=1S/C11H23NO2/c1-6-12(7-2)11(14)9(5)10(13)8(3)4/h8-10,13H,6-7H2,1-5H3/t9-,10-/m0/s1
InChIKeyFYGFPOZYVOJEJR-UWVGGRQHSA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide?
The IUPAC name of (2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide (CID 135055401) is (2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide.
What is the SMILES notation for (2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide?
The canonical SMILES for (2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide is CCN(CC)C(=O)[C@@H](C)[C@@H](O)C(C)C.
What is the InChIKey of (2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide?
The InChIKey is FYGFPOZYVOJEJR-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-12(7-2)11(14)9(5)10(13)8(3)4/h8-10,13H,6-7H2,1-5H3/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide?
(2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide has a molecular weight of 201.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide is sourced from PubChem (CID 135055401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).