2-[2-methoxyethyl(methyl)amino]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide

C12H22N4O2 — CID 122567075

IUPAC2-[2-methoxyethyl(methyl)amino]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide
SMILESCOCCN(C)CC(=O)NCCn1cc(C)cn1
InChIInChI=1S/C12H22N4O2/c1-11-8-14-16(9-11)5-4-13-12(17)10-15(2)6-7-18-3/h8-9H,4-7,10H2,1-3H3,(H,13,17)
InChIKeyMXQQVNGXGYGSKH-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.11
Rot. Bonds8

About 2-[2-methoxyethyl(methyl)amino]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide

2-[2-methoxyethyl(methyl)amino]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide (PubChem CID 122567075) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[2-methoxyethyl(methyl)amino]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-methoxyethyl(methyl)amino]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide
PubChem CID122567075
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[2-methoxyethyl(methyl)amino]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide
SMILESCOCCN(C)CC(=O)NCCn1cc(C)cn1
InChIInChI=1S/C12H22N4O2/c1-11-8-14-16(9-11)5-4-13-12(17)10-15(2)6-7-18-3/h8-9H,4-7,10H2,1-3H3,(H,13,17)
InChIKeyMXQQVNGXGYGSKH-UHFFFAOYSA-N
XLogP-0.11
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(methyl)amino]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[2-methoxyethyl(methyl)amino]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide (CID 122567075) is 2-[2-methoxyethyl(methyl)amino]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-methoxyethyl(methyl)amino]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-methoxyethyl(methyl)amino]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide is COCCN(C)CC(=O)NCCn1cc(C)cn1.
What is the InChIKey of 2-[2-methoxyethyl(methyl)amino]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is MXQQVNGXGYGSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-11-8-14-16(9-11)5-4-13-12(17)10-15(2)6-7-18-3/h8-9H,4-7,10H2,1-3H3,(H,13,17).
What are the key properties of 2-[2-methoxyethyl(methyl)amino]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide?
2-[2-methoxyethyl(methyl)amino]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 254.33 g/mol, XLogP of -0.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(methyl)amino]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 122567075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).