2-[ethyl-[[(2R)-oxan-2-yl]methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide

C14H24N4O2 — CID 164639300

IUPAC2-[ethyl-[[(2R)-oxan-2-yl]methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCCN(CC(=O)Nc1ccn(C)n1)C[C@H]1CCCCO1
InChIInChI=1S/C14H24N4O2/c1-3-18(10-12-6-4-5-9-20-12)11-14(19)15-13-7-8-17(2)16-13/h7-8,12H,3-6,9-11H2,1-2H3,(H,15,16,19)/t12-/m1/s1
InChIKeyVZPIEAONGMSDIB-GFCCVEGCSA-N
MW280.37 g/mol
LogP1.25
Rot. Bonds6

About 2-[ethyl-[[(2R)-oxan-2-yl]methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide

2-[ethyl-[[(2R)-oxan-2-yl]methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 164639300) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[ethyl-[[(2R)-oxan-2-yl]methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[[(2R)-oxan-2-yl]methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID164639300
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[ethyl-[[(2R)-oxan-2-yl]methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCCN(CC(=O)Nc1ccn(C)n1)C[C@H]1CCCCO1
InChIInChI=1S/C14H24N4O2/c1-3-18(10-12-6-4-5-9-20-12)11-14(19)15-13-7-8-17(2)16-13/h7-8,12H,3-6,9-11H2,1-2H3,(H,15,16,19)/t12-/m1/s1
InChIKeyVZPIEAONGMSDIB-GFCCVEGCSA-N
XLogP1.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[(2R)-oxan-2-yl]methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[ethyl-[[(2R)-oxan-2-yl]methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide (CID 164639300) is 2-[ethyl-[[(2R)-oxan-2-yl]methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[ethyl-[[(2R)-oxan-2-yl]methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[ethyl-[[(2R)-oxan-2-yl]methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide is CCN(CC(=O)Nc1ccn(C)n1)C[C@H]1CCCCO1.
What is the InChIKey of 2-[ethyl-[[(2R)-oxan-2-yl]methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is VZPIEAONGMSDIB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-18(10-12-6-4-5-9-20-12)11-14(19)15-13-7-8-17(2)16-13/h7-8,12H,3-6,9-11H2,1-2H3,(H,15,16,19)/t12-/m1/s1.
What are the key properties of 2-[ethyl-[[(2R)-oxan-2-yl]methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide?
2-[ethyl-[[(2R)-oxan-2-yl]methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[(2R)-oxan-2-yl]methyl]amino]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 164639300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).