N-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide

C18H23N3O3 — CID 94610417

IUPACN-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N[C@@H](CC)Cn2ccnc2)cc1
InChIInChI=1S/C18H23N3O3/c1-3-15(11-21-10-9-19-13-21)20-18(23)12-24-16-7-5-14(6-8-16)17(22)4-2/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyKIMAFYMZFFEZFL-HNNXBMFYSA-N
MW329.40 g/mol
LogP2.45
Rot. Bonds9

About N-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide

N-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 94610417) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide
PubChem CID94610417
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N[C@@H](CC)Cn2ccnc2)cc1
InChIInChI=1S/C18H23N3O3/c1-3-15(11-21-10-9-19-13-21)20-18(23)12-24-16-7-5-14(6-8-16)17(22)4-2/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyKIMAFYMZFFEZFL-HNNXBMFYSA-N
XLogP2.45
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 82110009
2-(4-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60625311
2-(4-methoxyphenoxy)-N-pentan-3-ylacetamide
CID 877838
2-[4-(1-hydroxyethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61489740
methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate
CID 47130684
N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide
CID 131918177
N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide
CID 72895830
1-imidazol-1-yl-N-methylbutan-2-amine
CID 62039095
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7788075
2-[(2-chlorophenyl)methylsulfanyl]-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 46988632
2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide
CID 99984955
2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486986

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide (CID 94610417) is N-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)N[C@@H](CC)Cn2ccnc2)cc1.
What is the InChIKey of N-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is KIMAFYMZFFEZFL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-15(11-21-10-9-19-13-21)20-18(23)12-24-16-7-5-14(6-8-16)17(22)4-2/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide?
N-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 94610417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).