N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide

C14H17N3O3 — CID 1095842

IUPACN-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@@H](O)Cn2ccnc2)cc1
InChIInChI=1S/C14H17N3O3/c1-11(18)16-12-2-4-14(5-3-12)20-9-13(19)8-17-7-6-15-10-17/h2-7,10,13,19H,8-9H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyBWGLYCLYDKGWBH-ZDUSSCGKSA-N
MW275.31 g/mol
LogP1.28
Rot. Bonds6

About N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide

N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide (PubChem CID 1095842) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide
PubChem CID1095842
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@@H](O)Cn2ccnc2)cc1
InChIInChI=1S/C14H17N3O3/c1-11(18)16-12-2-4-14(5-3-12)20-9-13(19)8-17-7-6-15-10-17/h2-7,10,13,19H,8-9H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyBWGLYCLYDKGWBH-ZDUSSCGKSA-N
XLogP1.28
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate
CID 47130684
(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
CID 40549247
(2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol
CID 7449350
1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol;oxalic acid
CID 46735935
N-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 973812
N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
CID 46863837
N-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide
CID 18552694
1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 168513831
(2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol
CID 1090501
(2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol
CID 58930396
N-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 973802
3-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]benzoic acid
CID 35140762

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide (CID 1095842) is N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide is CC(=O)Nc1ccc(OC[C@@H](O)Cn2ccnc2)cc1.
What is the InChIKey of N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide?
The InChIKey is BWGLYCLYDKGWBH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-11(18)16-12-2-4-14(5-3-12)20-9-13(19)8-17-7-6-15-10-17/h2-7,10,13,19H,8-9H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide?
N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide has a molecular weight of 275.31 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide is sourced from PubChem (CID 1095842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).