5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide

C13H26N2O2 — CID 146517470

IUPAC5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide
SMILESCNC(=O)[C@@H](NC(=O)CCCC(C)C)C(C)C
InChIInChI=1S/C13H26N2O2/c1-9(2)7-6-8-11(16)15-12(10(3)4)13(17)14-5/h9-10,12H,6-8H2,1-5H3,(H,14,17)(H,15,16)/t12-/m0/s1
InChIKeyPMIMPJHSYWTPRR-LBPRGKRZSA-N
MW242.36 g/mol
LogP1.70
Rot. Bonds7

About 5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide

5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide (PubChem CID 146517470) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide.

Molecular Properties

Compound Name5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide
PubChem CID146517470
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide
SMILESCNC(=O)[C@@H](NC(=O)CCCC(C)C)C(C)C
InChIInChI=1S/C13H26N2O2/c1-9(2)7-6-8-11(16)15-12(10(3)4)13(17)14-5/h9-10,12H,6-8H2,1-5H3,(H,14,17)(H,15,16)/t12-/m0/s1
InChIKeyPMIMPJHSYWTPRR-LBPRGKRZSA-N
XLogP1.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-methylhexanamide
CID 138507242
ethane;5-methyl-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide
CID 145216505
(2S)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethane;molecular hydrogen
CID 169106352
6-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide
CID 122490998
2-[[2-[[12-[[1-[(1-carboxy-2-methylpropyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-12-oxododecanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 10371775
(2S)-2-[[(2S)-2-[[8-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-8-oxooctanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 100915022
(2S)-2-amino-6-[[(2S)-1-[[(1R)-1-carboxy-2-methylpropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
CID 15000922
sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane
CID 171621434
3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(5-methylhexanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoylamino]-6-methylheptanoic acid
CID 12940681
(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(5-methylhexanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
CID 101285882
2-(5-aminohexanoylamino)-N,4-dimethylpentanamide
CID 82848725
N',5-dimethylhexanehydrazide
CID 116846298

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide?
The IUPAC name of 5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide (CID 146517470) is 5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide.
What is the SMILES notation for 5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide?
The canonical SMILES for 5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide is CNC(=O)[C@@H](NC(=O)CCCC(C)C)C(C)C.
What is the InChIKey of 5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide?
The InChIKey is PMIMPJHSYWTPRR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)7-6-8-11(16)15-12(10(3)4)13(17)14-5/h9-10,12H,6-8H2,1-5H3,(H,14,17)(H,15,16)/t12-/m0/s1.
What are the key properties of 5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide?
5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide has a molecular weight of 242.36 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide is sourced from PubChem (CID 146517470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).