2-[2-methoxyethyl(propyl)amino]-N-(1-methylpyrazol-3-yl)acetamide

C12H22N4O2 — CID 91831029

IUPAC2-[2-methoxyethyl(propyl)amino]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCCCN(CCOC)CC(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H22N4O2/c1-4-6-16(8-9-18-3)10-12(17)13-11-5-7-15(2)14-11/h5,7H,4,6,8-10H2,1-3H3,(H,13,14,17)
InChIKeyRFMDTSQWYPUISP-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.72
Rot. Bonds8

About 2-[2-methoxyethyl(propyl)amino]-N-(1-methylpyrazol-3-yl)acetamide

2-[2-methoxyethyl(propyl)amino]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 91831029) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[2-methoxyethyl(propyl)amino]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-methoxyethyl(propyl)amino]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID91831029
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[2-methoxyethyl(propyl)amino]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCCCN(CCOC)CC(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H22N4O2/c1-4-6-16(8-9-18-3)10-12(17)13-11-5-7-15(2)14-11/h5,7H,4,6,8-10H2,1-3H3,(H,13,14,17)
InChIKeyRFMDTSQWYPUISP-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(propyl)amino]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[2-methoxyethyl(propyl)amino]-N-(1-methylpyrazol-3-yl)acetamide (CID 91831029) is 2-[2-methoxyethyl(propyl)amino]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-methoxyethyl(propyl)amino]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[2-methoxyethyl(propyl)amino]-N-(1-methylpyrazol-3-yl)acetamide is CCCN(CCOC)CC(=O)Nc1ccn(C)n1.
What is the InChIKey of 2-[2-methoxyethyl(propyl)amino]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is RFMDTSQWYPUISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-6-16(8-9-18-3)10-12(17)13-11-5-7-15(2)14-11/h5,7H,4,6,8-10H2,1-3H3,(H,13,14,17).
What are the key properties of 2-[2-methoxyethyl(propyl)amino]-N-(1-methylpyrazol-3-yl)acetamide?
2-[2-methoxyethyl(propyl)amino]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 254.33 g/mol, XLogP of 0.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(propyl)amino]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 91831029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).