2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C18H26N4O2 — CID 18156015

IUPAC2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCc1ccc(OCCN(C)CC(=O)Nc2ccnn2C(C)C)cc1
InChIInChI=1S/C18H26N4O2/c1-14(2)22-17(9-10-19-22)20-18(23)13-21(4)11-12-24-16-7-5-15(3)6-8-16/h5-10,14H,11-13H2,1-4H3,(H,20,23)
InChIKeyHAYOMXWAOAUIBP-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.72
Rot. Bonds8

About 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 18156015) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID18156015
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCc1ccc(OCCN(C)CC(=O)Nc2ccnn2C(C)C)cc1
InChIInChI=1S/C18H26N4O2/c1-14(2)22-17(9-10-19-22)20-18(23)13-21(4)11-12-24-16-7-5-15(3)6-8-16/h5-10,14H,11-13H2,1-4H3,(H,20,23)
InChIKeyHAYOMXWAOAUIBP-UHFFFAOYSA-N
XLogP2.72
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 18156015) is 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is Cc1ccc(OCCN(C)CC(=O)Nc2ccnn2C(C)C)cc1.
What is the InChIKey of 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is HAYOMXWAOAUIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14(2)22-17(9-10-19-22)20-18(23)13-21(4)11-12-24-16-7-5-15(3)6-8-16/h5-10,14H,11-13H2,1-4H3,(H,20,23).
What are the key properties of 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 18156015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).