2-ethoxy-N-(3-methylpyrrolidin-3-yl)acetamide

C9H18N2O2 — CID 107422673

IUPAC2-ethoxy-N-(3-methylpyrrolidin-3-yl)acetamide
SMILESCCOCC(=O)NC1(C)CCNC1
InChIInChI=1S/C9H18N2O2/c1-3-13-6-8(12)11-9(2)4-5-10-7-9/h10H,3-7H2,1-2H3,(H,11,12)
InChIKeyPWRCCKFBFDDYJZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.11
Rot. Bonds4

About 2-ethoxy-N-(3-methylpyrrolidin-3-yl)acetamide

2-ethoxy-N-(3-methylpyrrolidin-3-yl)acetamide (PubChem CID 107422673) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-ethoxy-N-(3-methylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-methylpyrrolidin-3-yl)acetamide
PubChem CID107422673
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-ethoxy-N-(3-methylpyrrolidin-3-yl)acetamide
SMILESCCOCC(=O)NC1(C)CCNC1
InChIInChI=1S/C9H18N2O2/c1-3-13-6-8(12)11-9(2)4-5-10-7-9/h10H,3-7H2,1-2H3,(H,11,12)
InChIKeyPWRCCKFBFDDYJZ-UHFFFAOYSA-N
XLogP-0.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-methylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2-ethoxy-N-(3-methylpyrrolidin-3-yl)acetamide (CID 107422673) is 2-ethoxy-N-(3-methylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(3-methylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-ethoxy-N-(3-methylpyrrolidin-3-yl)acetamide is CCOCC(=O)NC1(C)CCNC1.
What is the InChIKey of 2-ethoxy-N-(3-methylpyrrolidin-3-yl)acetamide?
The InChIKey is PWRCCKFBFDDYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-13-6-8(12)11-9(2)4-5-10-7-9/h10H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-ethoxy-N-(3-methylpyrrolidin-3-yl)acetamide?
2-ethoxy-N-(3-methylpyrrolidin-3-yl)acetamide has a molecular weight of 186.25 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-methylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 107422673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).