2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C18H24N4O3 — CID 9152455

IUPAC2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cccc(C)c1OCC(=O)NCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C18H24N4O3/c1-11-7-6-8-12(2)18(11)25-10-16(24)19-9-15(23)20-17-13(3)21-22(5)14(17)4/h6-8H,9-10H2,1-5H3,(H,19,24)(H,20,23)
InChIKeyKERAZJLSXITKLB-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.79
Rot. Bonds6

About 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 9152455) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID9152455
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cccc(C)c1OCC(=O)NCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C18H24N4O3/c1-11-7-6-8-12(2)18(11)25-10-16(24)19-9-15(23)20-17-13(3)21-22(5)14(17)4/h6-8H,9-10H2,1-5H3,(H,19,24)(H,20,23)
InChIKeyKERAZJLSXITKLB-UHFFFAOYSA-N
XLogP1.79
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-ethoxyphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8810901
2-(2,3,4,5,6-pentachlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78811961
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-hydroxy-3-methylbenzoate
CID 7701427
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7715455
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55405256
2-(2,6-dimethylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78859856
2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78815389
2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9354234
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 171381792
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate
CID 7703650
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 9152455) is 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1cccc(C)c1OCC(=O)NCC(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is KERAZJLSXITKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-7-6-8-12(2)18(11)25-10-16(24)19-9-15(23)20-17-13(3)21-22(5)14(17)4/h6-8H,9-10H2,1-5H3,(H,19,24)(H,20,23).
What are the key properties of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 344.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 9152455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).