N-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide

C20H21N3O3 — CID 18552694

IUPACN-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)Cn2cnc(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H21N3O3/c1-15(24)22-17-7-9-19(10-8-17)26-13-18(25)11-23-12-20(21-14-23)16-5-3-2-4-6-16/h2-10,12,14,18,25H,11,13H2,1H3,(H,22,24)
InChIKeyKOKKFHLTGBQACA-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.95
Rot. Bonds7

About N-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide

N-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide (PubChem CID 18552694) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide
PubChem CID18552694
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)Cn2cnc(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H21N3O3/c1-15(24)22-17-7-9-19(10-8-17)26-13-18(25)11-23-12-20(21-14-23)16-5-3-2-4-6-16/h2-10,12,14,18,25H,11,13H2,1H3,(H,22,24)
InChIKeyKOKKFHLTGBQACA-UHFFFAOYSA-N
XLogP2.95
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide
CID 1095842
N-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 973812
N-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide
CID 55680120
N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
CID 46863837
N-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 973802
N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide
CID 40616157
N-[4-[3-(4-ethylphenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 42958085
N-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]acetamide
CID 2962057
N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide
CID 110907951
N-[4-[(2S)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 51422964
N-[4-[(2S)-3-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 36923717
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 4883

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide (CID 18552694) is N-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(O)Cn2cnc(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide?
The InChIKey is KOKKFHLTGBQACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-15(24)22-17-7-9-19(10-8-17)26-13-18(25)11-23-12-20(21-14-23)16-5-3-2-4-6-16/h2-10,12,14,18,25H,11,13H2,1H3,(H,22,24).
What are the key properties of N-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide?
N-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide is sourced from PubChem (CID 18552694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).