2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide

C18H25N3O — CID 58592811

IUPAC2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1nc(CC(C)C)cn1CC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H25N3O/c1-13(2)10-17-11-21(15(4)20-17)12-18(22)19-14(3)16-8-6-5-7-9-16/h5-9,11,13-14H,10,12H2,1-4H3,(H,19,22)/t14-/m1/s1
InChIKeyBXEJZHUFMFIJCA-CQSZACIVSA-N
MW299.42 g/mol
LogP3.27
Rot. Bonds6

About 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide

2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 58592811) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID58592811
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1nc(CC(C)C)cn1CC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H25N3O/c1-13(2)10-17-11-21(15(4)20-17)12-18(22)19-14(3)16-8-6-5-7-9-16/h5-9,11,13-14H,10,12H2,1-4H3,(H,19,22)/t14-/m1/s1
InChIKeyBXEJZHUFMFIJCA-CQSZACIVSA-N
XLogP3.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19517136
2-(5-amino-2-oxo-1-pyridinyl)-N-(1-phenylethyl)acetamide
CID 62816679
2-[2-methyl-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 53178084
N-(1-phenylethyl)-2-pyrrol-1-ylacetamide
CID 20880526
2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 115459911
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide
CID 108997322
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(1-phenylethyl)acetamide
CID 108794915
2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19524551
2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 93477848
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide (CID 58592811) is 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide is Cc1nc(CC(C)C)cn1CC(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is BXEJZHUFMFIJCA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13(2)10-17-11-21(15(4)20-17)12-18(22)19-14(3)16-8-6-5-7-9-16/h5-9,11,13-14H,10,12H2,1-4H3,(H,19,22)/t14-/m1/s1.
What are the key properties of 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 299.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 58592811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).