N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide

C18H25N3O3 — CID 46982980

IUPACN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCOCC(NC(=O)COc1c(C)ccc(C)c1C)c1ccnn1C
InChIInChI=1S/C18H25N3O3/c1-12-6-7-13(2)18(14(12)3)24-11-17(22)20-15(10-23-5)16-8-9-19-21(16)4/h6-9,15H,10-11H2,1-5H3,(H,20,22)
InChIKeyBMSYGDSOTCGSFE-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.23
Rot. Bonds7

About N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide

N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide (PubChem CID 46982980) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide
PubChem CID46982980
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCOCC(NC(=O)COc1c(C)ccc(C)c1C)c1ccnn1C
InChIInChI=1S/C18H25N3O3/c1-12-6-7-13(2)18(14(12)3)24-11-17(22)20-15(10-23-5)16-8-9-19-21(16)4/h6-9,15H,10-11H2,1-5H3,(H,20,22)
InChIKeyBMSYGDSOTCGSFE-UHFFFAOYSA-N
XLogP2.23
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide (CID 46982980) is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide is COCC(NC(=O)COc1c(C)ccc(C)c1C)c1ccnn1C.
What is the InChIKey of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide?
The InChIKey is BMSYGDSOTCGSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12-6-7-13(2)18(14(12)3)24-11-17(22)20-15(10-23-5)16-8-9-19-21(16)4/h6-9,15H,10-11H2,1-5H3,(H,20,22).
What are the key properties of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide?
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide has a molecular weight of 331.42 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 46982980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).