(E,4R)-N,2,3,5-tetramethyl-4-(methylamino)hex-2-enamide

C11H22N2O — CID 59973721

IUPAC(E,4R)-N,2,3,5-tetramethyl-4-(methylamino)hex-2-enamide
SMILESCNC(=O)/C(C)=C(\C)[C@H](NC)C(C)C
InChIInChI=1S/C11H22N2O/c1-7(2)10(12-5)8(3)9(4)11(14)13-6/h7,10,12H,1-6H3,(H,13,14)/b9-8+/t10-/m1/s1
InChIKeyTYTIJLLAULUCFV-AAXQSMANSA-N
MW198.31 g/mol
LogP1.31
Rot. Bonds4

About (E,4R)-N,2,3,5-tetramethyl-4-(methylamino)hex-2-enamide

(E,4R)-N,2,3,5-tetramethyl-4-(methylamino)hex-2-enamide (PubChem CID 59973721) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (E,4R)-N,2,3,5-tetramethyl-4-(methylamino)hex-2-enamide.

Molecular Properties

Compound Name(E,4R)-N,2,3,5-tetramethyl-4-(methylamino)hex-2-enamide
PubChem CID59973721
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(E,4R)-N,2,3,5-tetramethyl-4-(methylamino)hex-2-enamide
SMILESCNC(=O)/C(C)=C(\C)[C@H](NC)C(C)C
InChIInChI=1S/C11H22N2O/c1-7(2)10(12-5)8(3)9(4)11(14)13-6/h7,10,12H,1-6H3,(H,13,14)/b9-8+/t10-/m1/s1
InChIKeyTYTIJLLAULUCFV-AAXQSMANSA-N
XLogP1.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methane;4-methyl-3-(methylamino)pentan-2-one
CID 158029280
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3-methyl-2-(methylamino)butanoic acid
CID 4378
3-hydroxy-N,2,4-trimethylpent-2-enamide
CID 141458418
(2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 145135261
3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide
CID 154976995
(2S)-3-methyl-2-(methylamino)butanamide;hydrochloride
CID 87874249
(2S)-3-methyl-2-(methylamino)-N-(3-oxobut-1-en-2-yl)butanamide
CID 167281682
N,N'-di((113C)methyl)oxamide
CID 169438737
CID 159556955
CID 159556955
4-hydroxy-3-(methylamino)pentan-2-one
CID 22981507
ethane;propan-2-yl (2S)-3-methyl-2-(methylamino)butanoate
CID 142287179

Frequently Asked Questions

What is the IUPAC name of (E,4R)-N,2,3,5-tetramethyl-4-(methylamino)hex-2-enamide?
The IUPAC name of (E,4R)-N,2,3,5-tetramethyl-4-(methylamino)hex-2-enamide (CID 59973721) is (E,4R)-N,2,3,5-tetramethyl-4-(methylamino)hex-2-enamide.
What is the SMILES notation for (E,4R)-N,2,3,5-tetramethyl-4-(methylamino)hex-2-enamide?
The canonical SMILES for (E,4R)-N,2,3,5-tetramethyl-4-(methylamino)hex-2-enamide is CNC(=O)/C(C)=C(\C)[C@H](NC)C(C)C.
What is the InChIKey of (E,4R)-N,2,3,5-tetramethyl-4-(methylamino)hex-2-enamide?
The InChIKey is TYTIJLLAULUCFV-AAXQSMANSA-N. The full InChI is InChI=1S/C11H22N2O/c1-7(2)10(12-5)8(3)9(4)11(14)13-6/h7,10,12H,1-6H3,(H,13,14)/b9-8+/t10-/m1/s1.
What are the key properties of (E,4R)-N,2,3,5-tetramethyl-4-(methylamino)hex-2-enamide?
(E,4R)-N,2,3,5-tetramethyl-4-(methylamino)hex-2-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-N,2,3,5-tetramethyl-4-(methylamino)hex-2-enamide is sourced from PubChem (CID 59973721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).