2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide

C21H23N3O2 — CID 25345035

IUPAC2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)c1
InChIInChI=1S/C21H23N3O2/c1-15-10-16(2)12-18(11-15)26-14-21(25)24-19(13-20-22-8-9-23-20)17-6-4-3-5-7-17/h3-12,19H,13-14H2,1-2H3,(H,22,23)(H,24,25)/t19-/m0/s1
InChIKeyXLFDXEQISYOVAG-IBGZPJMESA-N
MW349.43 g/mol
LogP3.51
Rot. Bonds7

About 2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide

2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide (PubChem CID 25345035) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide
PubChem CID25345035
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)c1
InChIInChI=1S/C21H23N3O2/c1-15-10-16(2)12-18(11-15)26-14-21(25)24-19(13-20-22-8-9-23-20)17-6-4-3-5-7-17/h3-12,19H,13-14H2,1-2H3,(H,22,23)(H,24,25)/t19-/m0/s1
InChIKeyXLFDXEQISYOVAG-IBGZPJMESA-N
XLogP3.51
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-naphthalen-2-yloxyacetamide
CID 25345693
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide
CID 17498145
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide
CID 17454227
N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 97066738
2-(3,5-dichlorophenoxy)-N-[(1R)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 100627761
3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 110931199
3-[[2-(3-methylphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461281
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide
CID 17486679
N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenoxyacetamide
CID 39370051
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 40662016
2-(3,5-dimethylphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853783
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 17458112

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide (CID 25345035) is 2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide is Cc1cc(C)cc(OCC(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide?
The InChIKey is XLFDXEQISYOVAG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-10-16(2)12-18(11-15)26-14-21(25)24-19(13-20-22-8-9-23-20)17-6-4-3-5-7-17/h3-12,19H,13-14H2,1-2H3,(H,22,23)(H,24,25)/t19-/m0/s1.
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide?
2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide is sourced from PubChem (CID 25345035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).