2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide

C16H21N3O2 — CID 134037059

IUPAC2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)N(C)Cc2cnn(C)c2)c1
InChIInChI=1S/C16H21N3O2/c1-12-5-6-13(2)15(7-12)21-11-16(20)18(3)9-14-8-17-19(4)10-14/h5-8,10H,9,11H2,1-4H3
InChIKeyQMNNZOFJFSQHQD-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.07
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide

2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 134037059) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID134037059
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)N(C)Cc2cnn(C)c2)c1
InChIInChI=1S/C16H21N3O2/c1-12-5-6-13(2)15(7-12)21-11-16(20)18(3)9-14-8-17-19(4)10-14/h5-8,10H,9,11H2,1-4H3
InChIKeyQMNNZOFJFSQHQD-UHFFFAOYSA-N
XLogP2.07
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methylphenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 17376901
2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037064
N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950361
N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037048
1-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19278731
2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 61442217
2-(2-methoxyphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037061
N-(1,3-benzothiazol-2-ylmethyl)-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 9328120
N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 113222109
2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
3-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 86912624

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 134037059) is 2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide is Cc1ccc(C)c(OCC(=O)N(C)Cc2cnn(C)c2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is QMNNZOFJFSQHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-5-6-13(2)15(7-12)21-11-16(20)18(3)9-14-8-17-19(4)10-14/h5-8,10H,9,11H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 134037059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).