2-(4-benzylmorpholin-2-yl)-N-(5-ethylpyrazolidin-3-yl)acetamide

C18H28N4O2 — CID 134068551

IUPAC2-(4-benzylmorpholin-2-yl)-N-(5-ethylpyrazolidin-3-yl)acetamide
SMILESCCC1CC(NC(=O)CC2CN(Cc3ccccc3)CCO2)NN1
InChIInChI=1S/C18H28N4O2/c1-2-15-10-17(21-20-15)19-18(23)11-16-13-22(8-9-24-16)12-14-6-4-3-5-7-14/h3-7,15-17,20-21H,2,8-13H2,1H3,(H,19,23)
InChIKeySMRYXJUASJYTAL-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.00
Rot. Bonds6

About 2-(4-benzylmorpholin-2-yl)-N-(5-ethylpyrazolidin-3-yl)acetamide

2-(4-benzylmorpholin-2-yl)-N-(5-ethylpyrazolidin-3-yl)acetamide (PubChem CID 134068551) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(4-benzylmorpholin-2-yl)-N-(5-ethylpyrazolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzylmorpholin-2-yl)-N-(5-ethylpyrazolidin-3-yl)acetamide
PubChem CID134068551
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-(4-benzylmorpholin-2-yl)-N-(5-ethylpyrazolidin-3-yl)acetamide
SMILESCCC1CC(NC(=O)CC2CN(Cc3ccccc3)CCO2)NN1
InChIInChI=1S/C18H28N4O2/c1-2-15-10-17(21-20-15)19-18(23)11-16-13-22(8-9-24-16)12-14-6-4-3-5-7-14/h3-7,15-17,20-21H,2,8-13H2,1H3,(H,19,23)
InChIKeySMRYXJUASJYTAL-UHFFFAOYSA-N
XLogP1.00
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylmorpholin-2-yl)-N-(5-ethylpyrazolidin-3-yl)acetamide?
The IUPAC name of 2-(4-benzylmorpholin-2-yl)-N-(5-ethylpyrazolidin-3-yl)acetamide (CID 134068551) is 2-(4-benzylmorpholin-2-yl)-N-(5-ethylpyrazolidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-benzylmorpholin-2-yl)-N-(5-ethylpyrazolidin-3-yl)acetamide?
The canonical SMILES for 2-(4-benzylmorpholin-2-yl)-N-(5-ethylpyrazolidin-3-yl)acetamide is CCC1CC(NC(=O)CC2CN(Cc3ccccc3)CCO2)NN1.
What is the InChIKey of 2-(4-benzylmorpholin-2-yl)-N-(5-ethylpyrazolidin-3-yl)acetamide?
The InChIKey is SMRYXJUASJYTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-15-10-17(21-20-15)19-18(23)11-16-13-22(8-9-24-16)12-14-6-4-3-5-7-14/h3-7,15-17,20-21H,2,8-13H2,1H3,(H,19,23).
What are the key properties of 2-(4-benzylmorpholin-2-yl)-N-(5-ethylpyrazolidin-3-yl)acetamide?
2-(4-benzylmorpholin-2-yl)-N-(5-ethylpyrazolidin-3-yl)acetamide has a molecular weight of 332.45 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylmorpholin-2-yl)-N-(5-ethylpyrazolidin-3-yl)acetamide is sourced from PubChem (CID 134068551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).