(2R,3R)-3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide

C11H21NO2 — CID 59087265

IUPAC(2R,3R)-3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide
SMILESC=C(C)C[C@@H](C(=O)NC)[C@H](O)CCC
InChIInChI=1S/C11H21NO2/c1-5-6-10(13)9(7-8(2)3)11(14)12-4/h9-10,13H,2,5-7H2,1,3-4H3,(H,12,14)/t9-,10-/m1/s1
InChIKeyWZXBWRZNFVSWFY-NXEZZACHSA-N
MW199.29 g/mol
LogP1.48
Rot. Bonds6

About (2R,3R)-3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide

(2R,3R)-3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide (PubChem CID 59087265) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide
PubChem CID59087265
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2R,3R)-3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide
SMILESC=C(C)C[C@@H](C(=O)NC)[C@H](O)CCC
InChIInChI=1S/C11H21NO2/c1-5-6-10(13)9(7-8(2)3)11(14)12-4/h9-10,13H,2,5-7H2,1,3-4H3,(H,12,14)/t9-,10-/m1/s1
InChIKeyWZXBWRZNFVSWFY-NXEZZACHSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide
CID 124548027
(E,3S,4R)-3-hydroxy-N,4-dimethyloct-6-enamide
CID 118889729
4-ethyl-3-hydroxy-N-methylhex-5-enamide
CID 141793816
2-ethenyl-3-hydroxy-N-(2-methylpropyl)octanamide
CID 10911690
(2R,3R)-3-hydroxy-N-methyl-2-propylheptanamide
CID 11344691
3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide
CID 12682172
(2R,3S)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide
CID 12682173
(2R,3R)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide
CID 12682174
(2R,3R)-2-ethyl-3-hydroxy-N-methylhexanamide
CID 12982523
3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide
CID 18340958
(2S,3R)-3-hydroxy-N-methyl-2-propylheptanamide
CID 122412678
(2S,3S)-3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide
CID 124548026

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide?
The IUPAC name of (2R,3R)-3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide (CID 59087265) is (2R,3R)-3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide.
What is the SMILES notation for (2R,3R)-3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide?
The canonical SMILES for (2R,3R)-3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide is C=C(C)C[C@@H](C(=O)NC)[C@H](O)CCC.
What is the InChIKey of (2R,3R)-3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide?
The InChIKey is WZXBWRZNFVSWFY-NXEZZACHSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-10(13)9(7-8(2)3)11(14)12-4/h9-10,13H,2,5-7H2,1,3-4H3,(H,12,14)/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide?
(2R,3R)-3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide has a molecular weight of 199.29 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-N-methyl-2-(2-methylprop-2-enyl)hexanamide is sourced from PubChem (CID 59087265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).