(2S,3S)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide

C11H21NO2 — CID 124548026

IUPAC(2S,3S)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide
SMILESC=C(C)[C@H](C(=O)N(C)C)[C@@H](O)CCC
InChIInChI=1S/C11H21NO2/c1-6-7-9(13)10(8(2)3)11(14)12(4)5/h9-10,13H,2,6-7H2,1,3-5H3/t9-,10-/m0/s1
InChIKeyWHTDIJRMZHQIKZ-UWVGGRQHSA-N
MW199.29 g/mol
LogP1.43
Rot. Bonds5

About (2S,3S)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide

(2S,3S)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide (PubChem CID 124548026) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide
PubChem CID124548026
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2S,3S)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide
SMILESC=C(C)[C@H](C(=O)N(C)C)[C@@H](O)CCC
InChIInChI=1S/C11H21NO2/c1-6-7-9(13)10(8(2)3)11(14)12(4)5/h9-10,13H,2,6-7H2,1,3-5H3/t9-,10-/m0/s1
InChIKeyWHTDIJRMZHQIKZ-UWVGGRQHSA-N
XLogP1.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide?
The IUPAC name of (2S,3S)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide (CID 124548026) is (2S,3S)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide.
What is the SMILES notation for (2S,3S)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide?
The canonical SMILES for (2S,3S)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide is C=C(C)[C@H](C(=O)N(C)C)[C@@H](O)CCC.
What is the InChIKey of (2S,3S)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide?
The InChIKey is WHTDIJRMZHQIKZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-7-9(13)10(8(2)3)11(14)12(4)5/h9-10,13H,2,6-7H2,1,3-5H3/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide?
(2S,3S)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide has a molecular weight of 199.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide is sourced from PubChem (CID 124548026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).