N-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide

C15H20N4O3 — CID 973812

IUPACN-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@H](O)Cn2nc(C)nc2C)cc1
InChIInChI=1S/C15H20N4O3/c1-10-16-11(2)19(18-10)8-14(21)9-22-15-6-4-13(5-7-15)17-12(3)20/h4-7,14,21H,8-9H2,1-3H3,(H,17,20)/t14-/m1/s1
InChIKeyJEBGSCAFZLZQII-CQSZACIVSA-N
MW304.35 g/mol
LogP1.29
Rot. Bonds6

About N-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide

N-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 973812) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide
PubChem CID973812
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@H](O)Cn2nc(C)nc2C)cc1
InChIInChI=1S/C15H20N4O3/c1-10-16-11(2)19(18-10)8-14(21)9-22-15-6-4-13(5-7-15)17-12(3)20/h4-7,14,21H,8-9H2,1-3H3,(H,17,20)/t14-/m1/s1
InChIKeyJEBGSCAFZLZQII-CQSZACIVSA-N
XLogP1.29
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 973802
[4-[(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 1091493
[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 1091494
N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide
CID 1095842
(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
CID 42588525
N-[4-[2-hydroxy-3-(4-phenylimidazol-1-yl)propoxy]phenyl]acetamide
CID 18552694
N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
CID 46863837
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-[(2S)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 51422964
ethyl 4-[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 7126214
ethyl 4-[3-(4-acetamidophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate;hydrochloride
CID 44891568

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide (CID 973812) is N-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccc(OC[C@H](O)Cn2nc(C)nc2C)cc1.
What is the InChIKey of N-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is JEBGSCAFZLZQII-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10-16-11(2)19(18-10)8-14(21)9-22-15-6-4-13(5-7-15)17-12(3)20/h4-7,14,21H,8-9H2,1-3H3,(H,17,20)/t14-/m1/s1.
What are the key properties of N-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
N-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 304.35 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 973812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).