N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide

C21H23N3O3 — CID 46458287

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
SMILESCC(NC(=O)COCCOc1ccccc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H23N3O3/c1-17(18-7-9-19(10-8-18)24-12-11-22-16-24)23-21(25)15-26-13-14-27-20-5-3-2-4-6-20/h2-12,16-17H,13-15H2,1H3,(H,23,25)
InChIKeyNQRAVILVRNMCJN-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.15
Rot. Bonds9

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide (PubChem CID 46458287) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
PubChem CID46458287
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
SMILESCC(NC(=O)COCCOc1ccccc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H23N3O3/c1-17(18-7-9-19(10-8-18)24-12-11-22-16-24)23-21(25)15-26-13-14-27-20-5-3-2-4-6-20/h2-12,16-17H,13-15H2,1H3,(H,23,25)
InChIKeyNQRAVILVRNMCJN-UHFFFAOYSA-N
XLogP3.15
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25352795
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
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 25352048
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18112943
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 25367883
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 25346414
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 27812010
2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25352434

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide (CID 46458287) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide is CC(NC(=O)COCCOc1ccccc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide?
The InChIKey is NQRAVILVRNMCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-17(18-7-9-19(10-8-18)24-12-11-22-16-24)23-21(25)15-26-13-14-27-20-5-3-2-4-6-20/h2-12,16-17H,13-15H2,1H3,(H,23,25).
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 46458287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).