N-(2-methylbutan-2-yl)-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]acetamide

C13H24N4O — CID 91832938

IUPACN-(2-methylbutan-2-yl)-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]acetamide
SMILESCCC(C)(C)NC(=O)CN(C)Cc1ncc(C)[nH]1
InChIInChI=1S/C13H24N4O/c1-6-13(3,4)16-12(18)9-17(5)8-11-14-7-10(2)15-11/h7H,6,8-9H2,1-5H3,(H,14,15)(H,16,18)
InChIKeyJULMRTGOKLGGEG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.45
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]acetamide

N-(2-methylbutan-2-yl)-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]acetamide (PubChem CID 91832938) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]acetamide
PubChem CID91832938
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(2-methylbutan-2-yl)-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]acetamide
SMILESCCC(C)(C)NC(=O)CN(C)Cc1ncc(C)[nH]1
InChIInChI=1S/C13H24N4O/c1-6-13(3,4)16-12(18)9-17(5)8-11-14-7-10(2)15-11/h7H,6,8-9H2,1-5H3,(H,14,15)(H,16,18)
InChIKeyJULMRTGOKLGGEG-UHFFFAOYSA-N
XLogP1.45
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]acetamide (CID 91832938) is N-(2-methylbutan-2-yl)-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]acetamide is CCC(C)(C)NC(=O)CN(C)Cc1ncc(C)[nH]1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]acetamide?
The InChIKey is JULMRTGOKLGGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-13(3,4)16-12(18)9-17(5)8-11-14-7-10(2)15-11/h7H,6,8-9H2,1-5H3,(H,14,15)(H,16,18).
What are the key properties of N-(2-methylbutan-2-yl)-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]acetamide?
N-(2-methylbutan-2-yl)-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]acetamide has a molecular weight of 252.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 91832938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).