N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2,3,6-trimethylphenoxy)acetamide

C17H23N3O2 — CID 46992231

IUPACN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1cnc(CN(C)C(=O)COc2c(C)ccc(C)c2C)[nH]1
InChIInChI=1S/C17H23N3O2/c1-11-6-7-12(2)17(14(11)4)22-10-16(21)20(5)9-15-18-8-13(3)19-15/h6-8H,9-10H2,1-5H3,(H,18,19)
InChIKeyZWAPXBOEHVONSL-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.68
Rot. Bonds5

About N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2,3,6-trimethylphenoxy)acetamide

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2,3,6-trimethylphenoxy)acetamide (PubChem CID 46992231) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2,3,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2,3,6-trimethylphenoxy)acetamide
PubChem CID46992231
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1cnc(CN(C)C(=O)COc2c(C)ccc(C)c2C)[nH]1
InChIInChI=1S/C17H23N3O2/c1-11-6-7-12(2)17(14(11)4)22-10-16(21)20(5)9-15-18-8-13(3)19-15/h6-8H,9-10H2,1-5H3,(H,18,19)
InChIKeyZWAPXBOEHVONSL-UHFFFAOYSA-N
XLogP2.68
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 112977936
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 90652729
3-methyl-1-(2,3,6-trimethylphenoxy)butan-2-one
CID 79395306
2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112792570
N,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 77082230
N,2,6-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 131931862
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
CID 154910556
5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 131905709
2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide
CID 124852422
1-[2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 70756872
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 90647609
N,N-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanamide
CID 56994189

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2,3,6-trimethylphenoxy)acetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2,3,6-trimethylphenoxy)acetamide (CID 46992231) is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2,3,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2,3,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2,3,6-trimethylphenoxy)acetamide is Cc1cnc(CN(C)C(=O)COc2c(C)ccc(C)c2C)[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2,3,6-trimethylphenoxy)acetamide?
The InChIKey is ZWAPXBOEHVONSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-6-7-12(2)17(14(11)4)22-10-16(21)20(5)9-15-18-8-13(3)19-15/h6-8H,9-10H2,1-5H3,(H,18,19).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2,3,6-trimethylphenoxy)acetamide?
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2,3,6-trimethylphenoxy)acetamide has a molecular weight of 301.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2,3,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 46992231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).