N-(4-tert-butylphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide

C21H23N3O2 — CID 4878352

IUPACN-(4-tert-butylphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)COc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C21H23N3O2/c1-21(2,3)16-4-6-17(7-5-16)23-20(25)14-26-19-10-8-18(9-11-19)24-13-12-22-15-24/h4-13,15H,14H2,1-3H3,(H,23,25)
InChIKeyNZFCFDWXPKNCBN-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.19
Rot. Bonds5

About N-(4-tert-butylphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide

N-(4-tert-butylphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide (PubChem CID 4878352) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide
PubChem CID4878352
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(4-tert-butylphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)COc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C21H23N3O2/c1-21(2,3)16-4-6-17(7-5-16)23-20(25)14-26-19-10-8-18(9-11-19)24-13-12-22-15-24/h4-13,15H,14H2,1-3H3,(H,23,25)
InChIKeyNZFCFDWXPKNCBN-UHFFFAOYSA-N
XLogP4.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-(1H-imidazol-1-yl)propyl)-3-(4-(benzyloxy)phenyl)thiourea
CID 6539188
N-(3-chlorophenyl)-2-(4-imidazol-1-ylphenoxy)acetamide
CID 4885174
N-(4-ethoxyphenyl)-2-[5-(4-nitrophenyl)-1H-imidazol-1-yl]acetamide
CID 1262906
2-(4-(1H-imidazol-1-yl)phenoxy)-N-([1,1'-biphenyl]-4-yl)acetamide
CID 4786512
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenoxyacetamide
CID 6463883
1-[2-(4-Ureidophenoxy)ethyl]imidazole
CID 13569204
1-(4-Imidazol-1-yl-benzylamino)-3-o-tolyloxy-propan-2-ol
CID 14739892
1-[[2-[4-(1H-Imidazol-1-yl)phenoxy]ethyl]amino]-3-[4-(2-methoxyethyl)phenoxy]-2-propanol
CID 14739906
1-{2-[4-(3H-Imidazol-1-yl)-phenoxy]-ethylamino}-3-m-tolyloxy-propan-2-ol
CID 14739907
2-[4-(2-methylimidazol-1-yl)phenoxy]-N-(4-phenylphenyl)acetamide
CID 86303187
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 3491429
N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5826500

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide (CID 4878352) is N-(4-tert-butylphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide is CC(C)(C)c1ccc(NC(=O)COc2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide?
The InChIKey is NZFCFDWXPKNCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-21(2,3)16-4-6-17(7-5-16)23-20(25)14-26-19-10-8-18(9-11-19)24-13-12-22-15-24/h4-13,15H,14H2,1-3H3,(H,23,25).
What are the key properties of N-(4-tert-butylphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide?
N-(4-tert-butylphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide has a molecular weight of 349.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide is sourced from PubChem (CID 4878352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).