(2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide

C14H29NO2 — CID 134905813

IUPAC(2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide
SMILESCC(C)[C@H](O)C[C@H](C)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H29NO2/c1-9(2)13(16)8-12(7)14(17)15(10(3)4)11(5)6/h9-13,16H,8H2,1-7H3/t12-,13+/m0/s1
InChIKeyLGDJGLKGWNYYNG-QWHCGFSZSA-N
MW243.39 g/mol
LogP2.67
Rot. Bonds6

About (2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide

(2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide (PubChem CID 134905813) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide
PubChem CID134905813
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name(2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide
SMILESCC(C)[C@H](O)C[C@H](C)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H29NO2/c1-9(2)13(16)8-12(7)14(17)15(10(3)4)11(5)6/h9-13,16H,8H2,1-7H3/t12-,13+/m0/s1
InChIKeyLGDJGLKGWNYYNG-QWHCGFSZSA-N
XLogP2.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide?
The IUPAC name of (2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide (CID 134905813) is (2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide.
What is the SMILES notation for (2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide?
The canonical SMILES for (2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide is CC(C)[C@H](O)C[C@H](C)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of (2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide?
The InChIKey is LGDJGLKGWNYYNG-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H29NO2/c1-9(2)13(16)8-12(7)14(17)15(10(3)4)11(5)6/h9-13,16H,8H2,1-7H3/t12-,13+/m0/s1.
What are the key properties of (2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide?
(2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide has a molecular weight of 243.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide is sourced from PubChem (CID 134905813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).