(2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide

C21H23N3O2 — CID 28574318

IUPAC(2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1C)C(=O)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C21H23N3O2/c1-3-19(26-20-11-7-4-8-16(20)2)21(25)23-14-17-9-5-6-10-18(17)24-13-12-22-15-24/h4-13,15,19H,3,14H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyOYAREDDCJSLCSW-IBGZPJMESA-N
MW349.43 g/mol
LogP3.65
Rot. Bonds7

About (2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide

(2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide (PubChem CID 28574318) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide
PubChem CID28574318
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1C)C(=O)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C21H23N3O2/c1-3-19(26-20-11-7-4-8-16(20)2)21(25)23-14-17-9-5-6-10-18(17)24-13-12-22-15-24/h4-13,15,19H,3,14H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyOYAREDDCJSLCSW-IBGZPJMESA-N
XLogP3.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide
CID 92686153
(2R)-2-(2-chlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 92685089
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 53284919
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 92682211
2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 136514293
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
(2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide
CID 97025150
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389
1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea
CID 71970578
(2S)-2-(3-chlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 99957835
1-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111359195
(2S)-N-butyl-2-(2-methylphenoxy)butanamide
CID 30398295

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide?
The IUPAC name of (2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide (CID 28574318) is (2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide?
The canonical SMILES for (2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide is CC[C@H](Oc1ccccc1C)C(=O)NCc1ccccc1-n1ccnc1.
What is the InChIKey of (2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide?
The InChIKey is OYAREDDCJSLCSW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-19(26-20-11-7-4-8-16(20)2)21(25)23-14-17-9-5-6-10-18(17)24-13-12-22-15-24/h4-13,15,19H,3,14H2,1-2H3,(H,23,25)/t19-/m0/s1.
What are the key properties of (2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide?
(2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide has a molecular weight of 349.43 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 28574318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).