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

C10H15N3O2 — CID 118336768

IUPAC3-(1H-imidazol-5-yl)-N-(2-methyl-1-oxopropan-2-yl)propanamide
SMILESCC(C)(C=O)NC(=O)CCc1cnc[nH]1
InChIInChI=1S/C10H15N3O2/c1-10(2,6-14)13-9(15)4-3-8-5-11-7-12-8/h5-7H,3-4H2,1-2H3,(H,11,12)(H,13,15)
InChIKeyKRLCHJHGHVISPQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.44
Rot. Bonds5

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

3-(1H-imidazol-5-yl)-N-(2-methyl-1-oxopropan-2-yl)propanamide (PubChem CID 118336768) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-N-(2-methyl-1-oxopropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-N-(2-methyl-1-oxopropan-2-yl)propanamide
PubChem CID118336768
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-(1H-imidazol-5-yl)-N-(2-methyl-1-oxopropan-2-yl)propanamide
SMILESCC(C)(C=O)NC(=O)CCc1cnc[nH]1
InChIInChI=1S/C10H15N3O2/c1-10(2,6-14)13-9(15)4-3-8-5-11-7-12-8/h5-7H,3-4H2,1-2H3,(H,11,12)(H,13,15)
InChIKeyKRLCHJHGHVISPQ-UHFFFAOYSA-N
XLogP0.44
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(1H-imidazol-5-yl)-N-(2-methyl-3-oxopentan-2-yl)propanamide
CID 67121943
N-(4-tert-butylphenyl)-3-(1H-imidazol-5-yl)propanamide
CID 110697927
N-tert-butyl-2-(1H-imidazol-5-yl)acetamide
CID 25128925
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
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide
CID 110697996
tert-butyl N-[3-[2-(1H-imidazol-5-yl)ethylamino]-3-oxopropyl]carbamate
CID 10588966
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
3-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 65231716
N-[2-(1H-imidazol-5-yl)ethyl]-3,7-dimethylocta-2,6-dienamide
CID 171776536
10-(1H-imidazol-5-yl)decan-2-one
CID 170211337

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-N-(2-methyl-1-oxopropan-2-yl)propanamide?
The IUPAC name of 3-(1H-imidazol-5-yl)-N-(2-methyl-1-oxopropan-2-yl)propanamide (CID 118336768) is 3-(1H-imidazol-5-yl)-N-(2-methyl-1-oxopropan-2-yl)propanamide.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-N-(2-methyl-1-oxopropan-2-yl)propanamide?
The canonical SMILES for 3-(1H-imidazol-5-yl)-N-(2-methyl-1-oxopropan-2-yl)propanamide is CC(C)(C=O)NC(=O)CCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-N-(2-methyl-1-oxopropan-2-yl)propanamide?
The InChIKey is KRLCHJHGHVISPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(2,6-14)13-9(15)4-3-8-5-11-7-12-8/h5-7H,3-4H2,1-2H3,(H,11,12)(H,13,15).
What are the key properties of 3-(1H-imidazol-5-yl)-N-(2-methyl-1-oxopropan-2-yl)propanamide?
3-(1H-imidazol-5-yl)-N-(2-methyl-1-oxopropan-2-yl)propanamide has a molecular weight of 209.25 g/mol, XLogP of 0.44, 5 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-1-oxopropan-2-yl)propanamide is sourced from PubChem (CID 118336768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).