N-tert-butyl-2-[4-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetamide

C19H25N3O3 — CID 154815947

IUPACN-tert-butyl-2-[4-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(-c2nccn2C2CCOC2)cc1
InChIInChI=1S/C19H25N3O3/c1-19(2,3)21-17(23)13-25-16-6-4-14(5-7-16)18-20-9-10-22(18)15-8-11-24-12-15/h4-7,9-10,15H,8,11-13H2,1-3H3,(H,21,23)
InChIKeyYNUMLTFUVIBVRR-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.81
Rot. Bonds5

About N-tert-butyl-2-[4-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetamide

N-tert-butyl-2-[4-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetamide (PubChem CID 154815947) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetamide
PubChem CID154815947
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-tert-butyl-2-[4-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(-c2nccn2C2CCOC2)cc1
InChIInChI=1S/C19H25N3O3/c1-19(2,3)21-17(23)13-25-16-6-4-14(5-7-16)18-20-9-10-22(18)15-8-11-24-12-15/h4-7,9-10,15H,8,11-13H2,1-3H3,(H,21,23)
InChIKeyYNUMLTFUVIBVRR-UHFFFAOYSA-N
XLogP2.81
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid
CID 155940361
formic acid;methyl 4-[1-(oxan-4-yl)imidazol-2-yl]benzoate
CID 154919892
formic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine
CID 154923864
N-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266757
N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole
CID 163333896
N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide
CID 3108520
2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide
CID 55190193
N-tert-butyl-2-[4-(1,3-thiazol-2-yloxy)phenoxy]acetamide
CID 71977190
2-(4-fluorophenoxy)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
CID 128988115
methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate
CID 47096345
N-tert-butyl-2-(1-methylpyrazol-4-yl)oxyacetamide
CID 115753072

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetamide (CID 154815947) is N-tert-butyl-2-[4-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetamide is CC(C)(C)NC(=O)COc1ccc(-c2nccn2C2CCOC2)cc1.
What is the InChIKey of N-tert-butyl-2-[4-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetamide?
The InChIKey is YNUMLTFUVIBVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-19(2,3)21-17(23)13-25-16-6-4-14(5-7-16)18-20-9-10-22(18)15-8-11-24-12-15/h4-7,9-10,15H,8,11-13H2,1-3H3,(H,21,23).
What are the key properties of N-tert-butyl-2-[4-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetamide?
N-tert-butyl-2-[4-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetamide has a molecular weight of 343.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetamide is sourced from PubChem (CID 154815947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).