2-(2-butan-2-ylphenoxy)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide

C22H26N4O2 — CID 60565665

IUPAC2-(2-butan-2-ylphenoxy)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NCc1cccnc1-n1ccnc1C
InChIInChI=1S/C22H26N4O2/c1-4-16(2)19-9-5-6-10-20(19)28-15-21(27)25-14-18-8-7-11-24-22(18)26-13-12-23-17(26)3/h5-13,16H,4,14-15H2,1-3H3,(H,25,27)
InChIKeyLTLGTLARDSQJPJ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.78
Rot. Bonds8

About 2-(2-butan-2-ylphenoxy)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide

2-(2-butan-2-ylphenoxy)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 60565665) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
PubChem CID60565665
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-(2-butan-2-ylphenoxy)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NCc1cccnc1-n1ccnc1C
InChIInChI=1S/C22H26N4O2/c1-4-16(2)19-9-5-6-10-20(19)28-15-21(27)25-14-18-8-7-11-24-22(18)26-13-12-23-17(26)3/h5-13,16H,4,14-15H2,1-3H3,(H,25,27)
InChIKeyLTLGTLARDSQJPJ-UHFFFAOYSA-N
XLogP3.78
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 60565634
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine
CID 130198321
2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43910298
5-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]furan-2-carboxylic acid
CID 125118561
2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 43052084
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
2-(2-fluorophenoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 51092996
2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 46449078
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 154749067
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62293470
benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate
CID 55491511

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide (CID 60565665) is 2-(2-butan-2-ylphenoxy)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide is CCC(C)c1ccccc1OCC(=O)NCc1cccnc1-n1ccnc1C.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is LTLGTLARDSQJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-16(2)19-9-5-6-10-20(19)28-15-21(27)25-14-18-8-7-11-24-22(18)26-13-12-23-17(26)3/h5-13,16H,4,14-15H2,1-3H3,(H,25,27).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide?
2-(2-butan-2-ylphenoxy)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 60565665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).