(3S,4R)-3-hydroxy-4-methyl-6-[methyl(oxan-4-yl)amino]hexanamide

C13H26N2O3 — CID 118374751

IUPAC(3S,4R)-3-hydroxy-4-methyl-6-[methyl(oxan-4-yl)amino]hexanamide
SMILESC[C@H](CCN(C)C1CCOCC1)[C@@H](O)CC(N)=O
InChIInChI=1S/C13H26N2O3/c1-10(12(16)9-13(14)17)3-6-15(2)11-4-7-18-8-5-11/h10-12,16H,3-9H2,1-2H3,(H2,14,17)/t10-,12+/m1/s1
InChIKeyDFVSJFGGFFSWQN-PWSUYJOCSA-N
MW258.36 g/mol
LogP0.36
Rot. Bonds7

About (3S,4R)-3-hydroxy-4-methyl-6-[methyl(oxan-4-yl)amino]hexanamide

(3S,4R)-3-hydroxy-4-methyl-6-[methyl(oxan-4-yl)amino]hexanamide (PubChem CID 118374751) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-4-methyl-6-[methyl(oxan-4-yl)amino]hexanamide.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-4-methyl-6-[methyl(oxan-4-yl)amino]hexanamide
PubChem CID118374751
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(3S,4R)-3-hydroxy-4-methyl-6-[methyl(oxan-4-yl)amino]hexanamide
SMILESC[C@H](CCN(C)C1CCOCC1)[C@@H](O)CC(N)=O
InChIInChI=1S/C13H26N2O3/c1-10(12(16)9-13(14)17)3-6-15(2)11-4-7-18-8-5-11/h10-12,16H,3-9H2,1-2H3,(H2,14,17)/t10-,12+/m1/s1
InChIKeyDFVSJFGGFFSWQN-PWSUYJOCSA-N
XLogP0.36
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxy-4-methylhexanamide
CID 118374608
(3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide
CID 118374749
(3S,4R)-6-(4,4-difluoropiperidin-1-yl)-3-hydroxy-4-methylhexanamide
CID 118374752
(3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)piperidin-1-yl]hexanamide
CID 118888240
(3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)morpholin-4-yl]hexanamide
CID 118888255
(3S,4R)-3-hydroxy-6-(4-hydroxypiperidin-1-yl)-4-methyl-6-oxohexanamide
CID 90230566
(3S,4R)-3-hydroxy-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]hexanamide
CID 118374596
(3S,4R)-3-hydroxy-4-methyl-6-morpholin-4-ylhexanamide
CID 118374603
(3S,4R)-6-[2-cyanoethyl(methyl)amino]-3-hydroxy-4-methylhexanamide
CID 118374614
(3S,4R)-3-hydroxy-6-[2-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide
CID 118374618
(3S,4R)-3-hydroxy-4-methyl-6-(4-methylpiperazin-1-yl)hexanamide
CID 118374682
(3S,4R)-3-hydroxy-4-methyl-6-(propan-2-ylamino)hexanamide
CID 118374691

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-[methyl(oxan-4-yl)amino]hexanamide?
The IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-[methyl(oxan-4-yl)amino]hexanamide (CID 118374751) is (3S,4R)-3-hydroxy-4-methyl-6-[methyl(oxan-4-yl)amino]hexanamide.
What is the SMILES notation for (3S,4R)-3-hydroxy-4-methyl-6-[methyl(oxan-4-yl)amino]hexanamide?
The canonical SMILES for (3S,4R)-3-hydroxy-4-methyl-6-[methyl(oxan-4-yl)amino]hexanamide is C[C@H](CCN(C)C1CCOCC1)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-3-hydroxy-4-methyl-6-[methyl(oxan-4-yl)amino]hexanamide?
The InChIKey is DFVSJFGGFFSWQN-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(12(16)9-13(14)17)3-6-15(2)11-4-7-18-8-5-11/h10-12,16H,3-9H2,1-2H3,(H2,14,17)/t10-,12+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-4-methyl-6-[methyl(oxan-4-yl)amino]hexanamide?
(3S,4R)-3-hydroxy-4-methyl-6-[methyl(oxan-4-yl)amino]hexanamide has a molecular weight of 258.36 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-4-methyl-6-[methyl(oxan-4-yl)amino]hexanamide is sourced from PubChem (CID 118374751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).