2-[acetyl(methyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide

C12H20N4O2 — CID 59900869

IUPAC2-[acetyl(methyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide
SMILESCC(=O)N(C)C(C)(C)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H20N4O2/c1-9(17)16(4)12(2,3)11(18)14-6-5-10-7-13-8-15-10/h7-8H,5-6H2,1-4H3,(H,13,15)(H,14,18)
InChIKeyCMEYJLXZVAFBFI-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.33
Rot. Bonds5

About 2-[acetyl(methyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide

2-[acetyl(methyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide (PubChem CID 59900869) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide
PubChem CID59900869
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[acetyl(methyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide
SMILESCC(=O)N(C)C(C)(C)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H20N4O2/c1-9(17)16(4)12(2,3)11(18)14-6-5-10-7-13-8-15-10/h7-8H,5-6H2,1-4H3,(H,13,15)(H,14,18)
InChIKeyCMEYJLXZVAFBFI-UHFFFAOYSA-N
XLogP0.33
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 65232379
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
3-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2,2,4-trimethylpentanoic acid
CID 126647448
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
3-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 65231716
2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
CID 54153226
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylpentanamide
CID 65232151
[1-hydroxy-5-[2-(1H-imidazol-5-yl)ethylamino]-4,4-dimethyl-5-oxopentylidene]oxidanium
CID 144920880
N'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide
CID 70309768
N-[2-(1H-imidazol-5-yl)ethyl]but-2-enamide
CID 77051956
tert-butyl N-[3-[2-(1H-imidazol-5-yl)ethylamino]-3-oxopropyl]carbamate
CID 10588966

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide (CID 59900869) is 2-[acetyl(methyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide is CC(=O)N(C)C(C)(C)C(=O)NCCc1cnc[nH]1.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide?
The InChIKey is CMEYJLXZVAFBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(17)16(4)12(2,3)11(18)14-6-5-10-7-13-8-15-10/h7-8H,5-6H2,1-4H3,(H,13,15)(H,14,18).
What are the key properties of 2-[acetyl(methyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide?
2-[acetyl(methyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide has a molecular weight of 252.32 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 59900869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).