(2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide

C15H19N3O2 — CID 97025150

IUPAC(2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)NCc1ncc[nH]1
InChIInChI=1S/C15H19N3O2/c1-3-12(20-13-7-5-4-6-11(13)2)15(19)18-10-14-16-8-9-17-14/h4-9,12H,3,10H2,1-2H3,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeyCPUFTVTVBIBVJA-GFCCVEGCSA-N
MW273.34 g/mol
LogP2.19
Rot. Bonds6

About (2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide

(2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide (PubChem CID 97025150) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide
PubChem CID97025150
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)NCc1ncc[nH]1
InChIInChI=1S/C15H19N3O2/c1-3-12(20-13-7-5-4-6-11(13)2)15(19)18-10-14-16-8-9-17-14/h4-9,12H,3,10H2,1-2H3,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeyCPUFTVTVBIBVJA-GFCCVEGCSA-N
XLogP2.19
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 53284919
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 92682211
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
(2S)-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 96528839
(2S)-N-butyl-2-(2-methylphenoxy)butanamide
CID 30398295
3-[2-(2-methylphenoxy)butanoylamino]propanoic acid
CID 119351050
ethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate
CID 70506701
(2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 28574318
4-[2-(2-methylphenoxy)butanoylamino]butanoic acid
CID 119352556
N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride
CID 119434352
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
CID 132655453

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide?
The IUPAC name of (2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide (CID 97025150) is (2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide?
The canonical SMILES for (2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide is CC[C@@H](Oc1ccccc1C)C(=O)NCc1ncc[nH]1.
What is the InChIKey of (2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide?
The InChIKey is CPUFTVTVBIBVJA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-12(20-13-7-5-4-6-11(13)2)15(19)18-10-14-16-8-9-17-14/h4-9,12H,3,10H2,1-2H3,(H,16,17)(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide?
(2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide has a molecular weight of 273.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 97025150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).