3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide

C12H19N3O2 — CID 67121943

IUPAC3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide
SMILESCCC(=O)C(C)(C)NC(=O)CCc1cnc[nH]1
InChIInChI=1S/C12H19N3O2/c1-4-10(16)12(2,3)15-11(17)6-5-9-7-13-8-14-9/h7-8H,4-6H2,1-3H3,(H,13,14)(H,15,17)
InChIKeyMIBFYFMPWHTUAR-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.22
Rot. Bonds6

About 3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide

3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide (PubChem CID 67121943) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide
PubChem CID67121943
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide
SMILESCCC(=O)C(C)(C)NC(=O)CCc1cnc[nH]1
InChIInChI=1S/C12H19N3O2/c1-4-10(16)12(2,3)15-11(17)6-5-9-7-13-8-14-9/h7-8H,4-6H2,1-3H3,(H,13,14)(H,15,17)
InChIKeyMIBFYFMPWHTUAR-UHFFFAOYSA-N
XLogP1.22
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-imidazol-5-yl)-N-(2-methyl-1-oxopropan-2-yl)propanamide
CID 118336768
N-(4-tert-butylphenyl)-3-(1H-imidazol-5-yl)propanamide
CID 110697927
N-tert-butyl-2-(1H-imidazol-5-yl)acetamide
CID 25128925
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
N-[3-hydroxy-2-(hydroxymethyl)propyl]-3-(1H-imidazol-5-yl)propanamide
CID 155074787
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylpentanamide
CID 65232151
10-(1H-imidazol-5-yl)decan-2-one
CID 170211337
methyl 6-(1H-imidazol-5-yl)hexanoate
CID 151564733
ethyl 4-(1H-imidazol-5-yl)-2-oxobutanoate
CID 70557338
ethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide
CID 144964737
ethyl 4-[3-(1H-imidazol-5-yl)propanoylamino]benzoate
CID 110697987

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide?
The IUPAC name of 3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide (CID 67121943) is 3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide?
The canonical SMILES for 3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide is CCC(=O)C(C)(C)NC(=O)CCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide?
The InChIKey is MIBFYFMPWHTUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-10(16)12(2,3)15-11(17)6-5-9-7-13-8-14-9/h7-8H,4-6H2,1-3H3,(H,13,14)(H,15,17).
What are the key properties of 3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide?
3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide has a molecular weight of 237.30 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide is sourced from PubChem (CID 67121943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).