2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide

C23H27N3O2 — CID 25352795

IUPAC2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H27N3O2/c1-17(18-5-9-20(10-6-18)26-14-13-24-16-26)25-22(27)15-28-21-11-7-19(8-12-21)23(2,3)4/h5-14,16-17H,15H2,1-4H3,(H,25,27)/t17-/m0/s1
InChIKeyQCEFUNWBFNEARH-KRWDZBQOSA-N
MW377.49 g/mol
LogP4.43
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide

2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide (PubChem CID 25352795) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
PubChem CID25352795
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H27N3O2/c1-17(18-5-9-20(10-6-18)26-14-13-24-16-26)25-22(27)15-28-21-11-7-19(8-12-21)23(2,3)4/h5-14,16-17H,15H2,1-4H3,(H,25,27)/t17-/m0/s1
InChIKeyQCEFUNWBFNEARH-KRWDZBQOSA-N
XLogP4.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 25367883
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 46458287
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 25346414
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 25351535
2-(2-fluorophenoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 17498298
N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide
CID 58640419
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25352434
N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide
CID 55657683
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 17428999
2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25366205
2-(2-bromo-4-methylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25366213

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide (CID 25352795) is 2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide is C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide?
The InChIKey is QCEFUNWBFNEARH-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17(18-5-9-20(10-6-18)26-14-13-24-16-26)25-22(27)15-28-21-11-7-19(8-12-21)23(2,3)4/h5-14,16-17H,15H2,1-4H3,(H,25,27)/t17-/m0/s1.
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide?
2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 25352795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).