2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide

C13H26N2O3 — CID 113239606

IUPAC2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN(C)C(C)(C)CO)C(C)C
InChIInChI=1S/C13H26N2O3/c1-9(2)12(10(3)17)14-11(18)7-15(6)13(4,5)8-16/h9,12,16H,7-8H2,1-6H3,(H,14,18)
InChIKeyCHTMGTDYFTYCCU-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.42
Rot. Bonds7

About 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 113239606) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID113239606
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN(C)C(C)(C)CO)C(C)C
InChIInChI=1S/C13H26N2O3/c1-9(2)12(10(3)17)14-11(18)7-15(6)13(4,5)8-16/h9,12,16H,7-8H2,1-6H3,(H,14,18)
InChIKeyCHTMGTDYFTYCCU-UHFFFAOYSA-N
XLogP0.42
TPSA69.64 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 ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55010254
2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 103189926
3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide
CID 142180452
2-[1-cyclopropylethyl(methyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793111
N-carbamoyl-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide
CID 115638217
2-acetamido-N-(1-hydroxy-2-methylpropan-2-yl)-N,3-dimethylbutanamide
CID 113476033
2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62035731
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62014229
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 79662387
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55210363
2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 78974200
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N,N-di(propan-2-yl)acetamide
CID 115638156

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 113239606) is 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)CN(C)C(C)(C)CO)C(C)C.
What is the InChIKey of 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is CHTMGTDYFTYCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(2)12(10(3)17)14-11(18)7-15(6)13(4,5)8-16/h9,12,16H,7-8H2,1-6H3,(H,14,18).
What are the key properties of 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 113239606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).