(2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide

C16H21N3O3 — CID 94678339

IUPAC(2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide
SMILESCCOCCO[C@@H](C)C(=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H21N3O3/c1-3-21-10-11-22-13(2)16(20)18-14-4-6-15(7-5-14)19-9-8-17-12-19/h4-9,12-13H,3,10-11H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyHWNRQGNRVYXSCK-ZDUSSCGKSA-N
MW303.36 g/mol
LogP2.25
Rot. Bonds8

About (2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide

(2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide (PubChem CID 94678339) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide
PubChem CID94678339
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide
SMILESCCOCCO[C@@H](C)C(=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H21N3O3/c1-3-21-10-11-22-13(2)16(20)18-14-4-6-15(7-5-14)19-9-8-17-12-19/h4-9,12-13H,3,10-11H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyHWNRQGNRVYXSCK-ZDUSSCGKSA-N
XLogP2.25
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.25
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

(2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 94796519
(2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 94033094
2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 47078303
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
ethyl 2-(4-imidazol-1-ylanilino)-2-oxoacetate
CID 19438777
(2R)-2-(2-ethoxyethoxy)-N-(1-ethylindol-5-yl)propanamide
CID 94389998
3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 43201587
ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate
CID 47078318
(2R)-2-(2-ethoxyethoxy)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide
CID 94675288
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide
CID 166215727
1-(4-butan-2-yloxyphenyl)imidazole
CID 91295981
N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide
CID 37186383

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide (CID 94678339) is (2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide is CCOCCO[C@@H](C)C(=O)Nc1ccc(-n2ccnc2)cc1.
What is the InChIKey of (2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide?
The InChIKey is HWNRQGNRVYXSCK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-21-10-11-22-13(2)16(20)18-14-4-6-15(7-5-14)19-9-8-17-12-19/h4-9,12-13H,3,10-11H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide?
(2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide has a molecular weight of 303.36 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide is sourced from PubChem (CID 94678339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).