N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide

C9H15N3O2 — CID 112691042

IUPACN-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCc1ncc[nH]1
InChIInChI=1S/C9H15N3O2/c1-7(2)14-6-9(13)12-5-8-10-3-4-11-8/h3-4,7H,5-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyJAVKXVQCPPXXIT-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.45
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide

N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide (PubChem CID 112691042) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide
PubChem CID112691042
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCc1ncc[nH]1
InChIInChI=1S/C9H15N3O2/c1-7(2)14-6-9(13)12-5-8-10-3-4-11-8/h3-4,7H,5-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyJAVKXVQCPPXXIT-UHFFFAOYSA-N
XLogP0.45
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide (CID 112691042) is N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide?
The InChIKey is JAVKXVQCPPXXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(2)14-6-9(13)12-5-8-10-3-4-11-8/h3-4,7H,5-6H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide?
N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide has a molecular weight of 197.24 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112691042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).